Geometry & MOs

Info

ID:	277455
PubChem CID:	103828650
Reduced:	F2N3O3C11H11 (1)
Stoich.:	A2B3C3D11E11 (1)
Weight, g/mol:	286.112899
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	8.4
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-difluoro-4-nitroanilino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations