Geometry & MOs

Info

ID:	372299
PubChem CID:	131295970
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	6.35
IP(EA), eV:	-10.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropropanoyl)-6-(hydroxymethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CC(=C1CO)C#N)Cl

DOS

IR

Vibrations