Geometry & MOs

Info

ID:	258346
PubChem CID:	103153101
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-194.21
Dipole, Da:	6.93
IP(EA), eV:	-9.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CC2=CC=CC=C2O1

DOS

IR

Vibrations