Geometry & MOs

Info

ID:	372300
PubChem CID:	131295971
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	3.32
IP(EA), eV:	-10.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropropanoyl)-5-(hydroxymethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CC(=C1C#N)CO)Cl

DOS

IR

Vibrations