Geometry & MOs

Info

ID:	11595
PubChem CID:	118087
Reduced:	NO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	301.095023
ΔH_f, kcal/mol:	-168.5
Dipole, Da:	4.28
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-3-(3,4-dihydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O

DOS

IR

Vibrations