Geometry & MOs

Info

ID:	372783
PubChem CID:	131304700
Reduced:	BrClNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	284.9556
ΔH_f, kcal/mol:	-4.48
Dipole, Da:	4.11
IP(EA), eV:	-9.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-bromo-2-oxopropyl)-3-chlorophenyl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations