Geometry & MOs

Info

ID:	9403
PubChem CID:	89195
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	1.6
IP(EA), eV:	-8.84(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-3,3-dimethoxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(C4)(OC)OC

DOS

IR

Vibrations