Geometry & MOs

Info

ID:	193861
PubChem CID:	78448754
Reduced:	F3N3O4C19H21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-258.16
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056370
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyanilino)-4-oxo-2-(pyridin-2-ylmethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=C(C=CC=[NH+]1)C)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations