Geometry & MOs

Info

ID:	4856
PubChem CID:	12162
Reduced:	BrNH4C7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	180.95271
ΔH_f, kcal/mol:	58.06
Dipole, Da:	2.44
IP(EA), eV:	-10.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)Br

DOS

IR

Vibrations