Geometry & MOs

Info

ID:	373962
PubChem CID:	131321729
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	330.90304
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	3.75
IP(EA), eV:	-9.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C(=O)C)CC)C#N

DOS

IR

Vibrations