Geometry & MOs

Info

ID:	277409
PubChem CID:	103828330
Reduced:	F2N2O3C10H12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	272.097249
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	9.37
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-difluoro-4-nitroanilino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

COCCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations