Geometry & MOs

Info

ID:	6418
PubChem CID:	68569
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	2.06
IP(EA), eV:	-8.47(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C

DOS

IR

Vibrations