Geometry & MOs

Info

ID:	258341
PubChem CID:	103153078
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-190.36
Dipole, Da:	7.61
IP(EA), eV:	-10.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)/C=C/C1=CC(=CC=C1)F

DOS

IR

Vibrations