Geometry & MOs

Info

ID:	18515
PubChem CID:	542101
Reduced:	FN3O4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	331.096834
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	7.35
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-fluorophenyl)-[2-(methylamino)-5-nitrophenyl]methylidene]amino]acetic acid

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=NCC(=O)O)C2=CC=CC=C2F

DOS

IR

Vibrations