Geometry & MOs

Info

ID:	80019
PubChem CID:	49832245
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	512.214759
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	4.99
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

DOS

IR

Vibrations