Geometry & MOs

Info

ID:	64630
PubChem CID:	29203551
Reduced:	NCl3O3H8C16 (1)
Stoich.:	AB3C3D8E16 (1)
Weight, g/mol:	345.043567
ΔH_f, kcal/mol:	-66.87
Dipole, Da:	4.04
IP(EA), eV:	-9.43(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations