Geometry & MOs

Info

ID:	373494
PubChem CID:	131316061
Reduced:	SN2O2C4H6 (1)
Stoich.:	AB2C2D4E6 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	3.31
IP(EA), eV:	-10.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-3-(1-chloro-2-oxopropyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1C(CS1(=O)=O)(C#N)N

DOS

IR

Vibrations