Geometry & MOs

Info

ID:	429878
PubChem CID:	135169932
Reduced:	N5C7H9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	508.194692
ΔH_f, kcal/mol:	94.09
Dipole, Da:	1.68
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(4-methylpiperazin-1-yl)-1,2-dihydropyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNNC1=NC=CN2C1=CC=N2

DOS

IR

Vibrations