Geometry & MOs

Info

ID:	394025
PubChem CID:	135022187
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	295.165782
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	4.14
IP(EA), eV:	-9.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-[(2R,3aR,5R,6aS)-5-methoxy-3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-1-hydroxy-3-methoxy-3-oxoprop-1-ene-2-diazonium

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

CC1([C@@H]2C[C@@H](C[C@@H]2C[C@H]1/C(=C(\C(=O)OC)/[N+]#N)/[O-])OC)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

CC1([C@@H]2C[C@@H](C[C@@H]2C[C@H]1/C(=C(\C(=O)OC)/[N+]#N)/[O-])OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):