Geometry & MOs

Info

ID:	69628
PubChem CID:	47205050
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	235.05124
ΔH_f, kcal/mol:	30.01
Dipole, Da:	5.46
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC3=CC=NN3

DOS

IR

Vibrations