Geometry & MOs

Info

ID:	139676
PubChem CID:	52578165
Reduced:	O2F3N5C19H20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	456.111981
ΔH_f, kcal/mol:	-186.5
Dipole, Da:	5.79
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)[C@H]4CC(=O)N(C4)CC(F)(F)F

DOS

IR

Vibrations