Geometry & MOs

Info

ID:	177042
PubChem CID:	76129078
Reduced:	OC13H13 (2)
Stoich.:	AB13C13 (2)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	1.22
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-pyridin-3-ylpropanoyl)anilino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=C

DOS

IR

Vibrations