Geometry & MOs

Info

ID:	196499
PubChem CID:	78838917
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	393.121273
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	5.64
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations