Geometry & MOs

Info

ID:	216165
PubChem CID:	85085820
Reduced:	ON6C10H20 (1)
Stoich.:	AB6C10D20 (1)
Weight, g/mol:	236.121258
ΔH_f, kcal/mol:	0.2
Dipole, Da:	4.29
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-methylcyclohexyl) benzoate

Drug info:

PubChemData

Smile

CCCCCCC1=NNC2N1NC(NC2=O)N

DOS

IR

Vibrations