Geometry & MOs

Info

ID:	30434
PubChem CID:	841332
Reduced:	ON2Cl3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	278.081518
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	3.45
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2,5-dimethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCC2=C(C=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations