Geometry & MOs

Info

ID:	258340
PubChem CID:	103153054
Reduced:	NO4C10H19 (1)
Stoich.:	AB4C10D19 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-206.14
Dipole, Da:	2.81
IP(EA), eV:	-10.08(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations