Geometry & MOs

Info

ID:	1148
PubChem CID:	3858
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-167.42
Dipole, Da:	5.53
IP(EA), eV:	-9.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylbutanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations