Geometry & MOs

Info

ID:	391785
PubChem CID:	135009604
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	3.87
IP(EA), eV:	-9.47(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,4bS,7S,8aR,10aR)-7-hydroxy-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-one

Drug info:

PubChemData

Smile

C/C(=C\CCC#N)/CCC=C(C)CCC1C(O1)(C)C

DOS

IR

Vibrations