Geometry & MOs

Info

ID:	309144
PubChem CID:	126538583
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	4.74
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(10S,13S,16S,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC23CC(=O)CC[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O

DOS

IR

Vibrations