Geometry & MOs

Info

ID:

219252

PubChem CID:

85096714

Reduced:

O2N6C27H34 (1)

Stoich.:

A2B6C27D34 (1)

Weight, g/mol:

474.27701

ΔHf, kcal/mol:

9.13

Dipole, Da:

5.47

IP(EA), eV:

 -8.77(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-hydroxy-17-(3-methoxy-3-methylbut-1-ynyl)-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)CC(=O)N3CCN(CC3)C4C=CC5=NC(=O)C6=CC=CC=C6C5=N4

DOS

IR

Vibrations