Geometry & MOs

Info

ID:	270955
PubChem CID:	103638999
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	3.82
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2COCCO2

DOS

IR

Vibrations