Geometry & MOs

Info

ID:	373114
PubChem CID:	131310156
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	298.97125
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	1.14
IP(EA), eV:	-10.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-bromopropanoyl)-2-(chloromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC#N)CCl)C(=O)CCBr

DOS

IR

Vibrations