Geometry & MOs

Info

ID:	30330
PubChem CID:	841148
Reduced:	FNOCl2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	3.65
IP(EA), eV:	-9.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-ethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)NCC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations