Geometry & MOs

Info

ID:	30710
PubChem CID:	841754
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	8.52
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3,5-dimethylphenyl)-2-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)N2CCCCCC2)[N+](=O)[O-]

DOS

IR

Vibrations