Geometry & MOs

Info

ID:	30528
PubChem CID:	841454
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	53.47
Dipole, Da:	5.37
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-ethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

DOS

IR

Vibrations