Geometry & MOs

Info

ID:	252875
PubChem CID:	103114722
Reduced:	FN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	4.88
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-methyl-3-nitrophenyl)methylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=C(C(=CC=C2)F)O

DOS

IR

Vibrations