Geometry & MOs

Info

ID:	284741
PubChem CID:	104067165
Reduced:	ClFO2N3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	291.101919
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	7.31
IP(EA), eV:	-9.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-fluoropyridin-3-yl)ethyl]-4-methoxy-2-nitroaniline

Drug info:

PubChemData

Smile

CC(C1=CC(=CN=C1)F)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations