Geometry & MOs

Info

ID:	20328
PubChem CID:	583142
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	6.8
IP(EA), eV:	-9.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethenylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations