Geometry & MOs

Info

ID:	7130
PubChem CID:	71325
Reduced:	O3C27H40 (1)
Stoich.:	A3B27C40 (1)
Weight, g/mol:	412.297745
ΔH_f, kcal/mol:	-121.24
Dipole, Da:	2.98
IP(EA), eV:	-8.58(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-5-[2-[(1R,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C=C[C@H](C1CC1)O)[C@H]2CCC3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C=C[C@H](C1CC1)O)[C@H]2CCC3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):