Geometry & MOs

Info

ID:	374849
PubChem CID:	131349521
Reduced:	BrN2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	271.99491
ΔH_f, kcal/mol:	76.55
Dipole, Da:	2.8
IP(EA), eV:	-9.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-bromopyridin-2-yl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC#N)C2=NC(=CC=C2)Br

DOS

IR

Vibrations