Geometry & MOs

Info

ID:	259188
PubChem CID:	103158529
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	5.71
IP(EA), eV:	-10.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluorophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=C(C=C(C=C2)C#N)[N+](=O)[O-])O

DOS

IR

Vibrations