Geometry & MOs

Info

ID:

177022

PubChem CID:

76125771

Reduced:

IN2O7C25H41 (1)

Stoich.:

AB2C7D25E41 (1)

Weight, g/mol:

528.296363

ΔHf, kcal/mol:

-349.46

Dipole, Da:

6.23

IP(EA), eV:

 -10.3(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9a,11a-dimethyl-7-oxo-N-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C(C1C(CC(O1)N2CC(C(=O)NC2=O)I)O)OC(=O)CCCCCCC

DOS

IR

Vibrations