Geometry & MOs

Info

ID:	277012
PubChem CID:	103826236
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	9.81
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(3-methoxycyclohexyl)-4-nitroaniline

Drug info:

PubChemData

Smile

COC1CCCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations