Geometry & MOs

Info

ID:	258335
PubChem CID:	103153005
Reduced:	FNSO4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-181.03
Dipole, Da:	7.37
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(4-propoxybenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC2=C(S1)C=CC(=C2)F

DOS

IR

Vibrations