Geometry & MOs

Info

ID:	37266
PubChem CID:	8019020
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	396.121625
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	5.35
IP(EA), eV:	-8.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(cyclopentylamino)-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C(\C#N)/C(=O)C2=CC=CC=C2)OC)OC

DOS

IR

Vibrations