Geometry & MOs

Info

ID:	136731
PubChem CID:	52090913
Reduced:	ClO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	403.108754
ΔH_f, kcal/mol:	5.17
Dipole, Da:	5.73
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2,5-diphenylpyrazol-3-yl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations