Geometry & MOs

Info

ID:	182718
PubChem CID:	76930501
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	8.49
IP(EA), eV:	-9.85(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(3-phenylprop-2-enoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N(C)C(=O)C1=CC(=O)C2C=CC=CC2=N1

DOS

IR

Vibrations