Geometry & MOs

Info

ID:	61522
PubChem CID:	26710179
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	325.09819
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	8.67
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations