Geometry & MOs

Info

ID:	373111
PubChem CID:	131310135
Reduced:	BrClO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	298.97125
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	2.23
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromopropanoyl)-6-(chloromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C(=C(C=C1)OC)Br)OCC2=CC=CC=C2)Cl

DOS

IR

Vibrations