Geometry & MOs

Info

ID:	13377
PubChem CID:	228095
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	5.52
IP(EA), eV:	-9.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]butanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations