Geometry & MOs

Info

ID:	1466
PubChem CID:	4537
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	-60.96
Dipole, Da:	4.67
IP(EA), eV:	-9.15(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations