Geometry & MOs

Info

ID:

436700

PubChem CID:

135207732

Reduced:

N5O8C43H49 (1)

Stoich.:

A5B8C43D49 (1)

Weight, g/mol:

456.102095

ΔHf, kcal/mol:

-262.04

Dipole, Da:

9.3

IP(EA), eV:

 -9.19(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[7-(trifluoromethyl)indazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCC(CC#N)OC(=O)N(COC1=CC2=C(C=C1)N=C3C(=C2CC)CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)C6=CC=C(C=C6)C(=O)N(CC)CC

DOS

IR

Vibrations