Geometry & MOs

Info

ID:	258336
PubChem CID:	103153011
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-210.69
Dipole, Da:	5.16
IP(EA), eV:	-9.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations