Geometry & MOs

Info

ID:	4789
PubChem CID:	12031
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-153.78
Dipole, Da:	5.59
IP(EA), eV:	-10.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylpropanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations