Geometry & MOs

Info

ID:	373495
PubChem CID:	131316070
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	5.84
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-2-(1-chloro-2-oxopropyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations