Geometry & MOs

Info

ID:	16797
PubChem CID:	477027
Reduced:	O6C25H38 (1)
Stoich.:	A6B25C38 (1)
Weight, g/mol:	434.266839
ΔH_f, kcal/mol:	-287.83
Dipole, Da:	2.72
IP(EA), eV:	-10.23(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,7S,8aR)-4-(2,4-dimethyloct-2-enoyloxy)-6-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid

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

CCCCC(C)C=C(C)C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC([C@@H](C2)C(=C)CO)O)C)C(=O)O

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

CCCCC(C)C=C(C)C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC([C@@H](C2)C(=C)CO)O)C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):