Geometry & MOs

Info

ID:	176971
PubChem CID:	76119664
Reduced:	OC27H44 (1)
Stoich.:	AB27C44 (1)
Weight, g/mol:	562.340673
ΔH_f, kcal/mol:	-23.85
Dipole, Da:	3.44
IP(EA), eV:	-7.6(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)methyl]-17-hydroxy-10,13-dimethyl-17-(2-piperazin-1-ylacetyl)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1C(OC2C1C3(CCC4C(C3C2)CC=C5C4(CCCC5)C)C)CCC(C)C

DOS

IR

Vibrations