Geometry & MOs

Info

ID:	244325
PubChem CID:	99343999
Reduced:	OSF3N4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	379.14331
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	3.69
IP(EA), eV:	-9.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=CN(N=C2)CC3=CC=NC=C3)SC(F)(F)F

DOS

IR

Vibrations