Geometry & MOs

Info

ID:	196423
PubChem CID:	78823124
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	418.138338
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	2.93
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)OC)NCC2=CC(=CC=C2)C#N)OC

DOS

IR

Vibrations