Geometry & MOs

Info

ID:	293364
PubChem CID:	117386106
Reduced:	FNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-110.31
Dipole, Da:	3.63
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclohexyl]-3-fluoro-6-methylbenzene-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2(CCCC2)CN)OC)F

DOS

IR

Vibrations