Geometry & MOs

Info

ID:	69603
PubChem CID:	47205012
Reduced:	FON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	5.17
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NCC2=CC=NN2

DOS

IR

Vibrations