Geometry & MOs

Info

ID:	73576
PubChem CID:	48418247
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	354.088353
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	2.86
IP(EA), eV:	-9.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chlorobenzoyl)-3-(3-methylpyrazol-1-yl)benzohydrazide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NNC(=O)C2=CN=CC=C2)Cl

DOS

IR

Vibrations