Geometry & MOs

Info

ID:	431375
PubChem CID:	135171450
Reduced:	ClSO2N5C18H18 (1)
Stoich.:	ABC2D5E18F18 (1)
Weight, g/mol:	227.168543
ΔH_f, kcal/mol:	28.33
Dipole, Da:	3.69
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCOC3=C2C=C(C=N3)N(C)SC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations