Geometry & MOs

Info

ID:

339613

PubChem CID:

127261603

Reduced:

O6C23H28 (1)

Stoich.:

A6B23C28 (1)

Weight, g/mol:

478.4287

ΔHf, kcal/mol:

-219.93

Dipole, Da:

5.45

IP(EA), eV:

 -8.8(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-phenylhydrazine

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2OCC)OC

DOS

IR

Vibrations