Geometry & MOs

Info

ID:	259160
PubChem CID:	103158434
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	4.43
IP(EA), eV:	-8.82(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-difluorophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)N1CCCC2=CC=CC=C21

DOS

IR

Vibrations