Geometry & MOs

Info

ID:	68271
PubChem CID:	46508091
Reduced:	FO3N5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	437.010074
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	6.28
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)NC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations