Geometry & MOs

Info

ID:	258393
PubChem CID:	103153406
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	270.101585
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	11.88
IP(EA), eV:	-9.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations