Geometry & MOs

Info

ID:

218947

PubChem CID:

85090228

Reduced:

N2O3C14H23 (2)

Stoich.:

A2B3C14D23 (2)

Weight, g/mol:

534.288243

ΔHf, kcal/mol:

-327.67

Dipole, Da:

1.82

IP(EA), eV:

 -9.5(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CCCC(C(C(=O)NCC)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations