Geometry & MOs

Info

ID:	9066
PubChem CID:	85747
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	4.18
IP(EA), eV:	-8.54(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCC12CCC3C(C1CCC2(C#C)O)CCC4=C3CC=C(C4)OC

DOS

IR

Vibrations