Geometry & MOs

Info

ID:	267374
PubChem CID:	103582031
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	4.13
IP(EA), eV:	-8.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2CCCO2

DOS

IR

Vibrations