Geometry & MOs

Info

ID:	1274
PubChem CID:	4080
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	310.19328
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	3.73
IP(EA), eV:	-8.53(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations