Geometry & MOs

Info

ID:	374719
PubChem CID:	131342542
Reduced:	BrN3C6H6 (1)
Stoich.:	AB3C6D6 (1)
Weight, g/mol:	198.97451
ΔH_f, kcal/mol:	48.06
Dipole, Da:	1.74
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-ethylimidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(NC(=N1)CCC#N)Br

DOS

IR

Vibrations