Geometry & MOs

Info

ID:

312441

PubChem CID:

126605067

Reduced:

N3H41C52 (1)

Stoich.:

A3B41C52 (1)

Weight, g/mol:

368.235145

ΔHf, kcal/mol:

291.96

Dipole, Da:

2.7

IP(EA), eV:

 -8.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,13-dimethyl-6-pent-2-ynoxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C/C=C\CC(C4=CC=CC(=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC9C=CC=CC9C=C8)N)C1=C2C=CN=C1

DOS

IR

Vibrations