Geometry & MOs

Info

ID:	254099
PubChem CID:	103122685
Reduced:	BrON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	42.87
Dipole, Da:	2.88
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-bromoethyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CBr)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations