Geometry & MOs

Info

ID:	10298
PubChem CID:	99998
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	5.21
IP(EA), eV:	-9.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-3-(4-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations