Geometry & MOs

Info

ID:	69634
PubChem CID:	47205061
Reduced:	ClFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	4.87
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations