Geometry & MOs

Info

ID:	373963
PubChem CID:	131321741
Reduced:	NOBr2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	330.90304
ΔH_f, kcal/mol:	13.68
Dipole, Da:	5.08
IP(EA), eV:	-10.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-(2-bromopropanoyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=CC(=C1)CBr)C#N)Br

DOS

IR

Vibrations