Geometry & MOs

Info

ID:	431344
PubChem CID:	135171419
Reduced:	N3O15C51H89 (1)
Stoich.:	A3B15C51D89 (1)
Weight, g/mol:	227.204928
ΔH_f, kcal/mol:	-778.24
Dipole, Da:	8.25
IP(EA), eV:	-9.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(fluoromethyl)-2-methylcyclohexyl]methyl]piperidine

Drug info:

PubChemData

Smile

CCC(CC(C)(C)OCCC(C)(C)OC(=O)NCCOC(=O)C(=C)C)(CC(C)(C)OCCC(C)(C)OC(=O)NCCOC(=O)C(=C)C)CC(C)(C)OCCC(C)(C)OC(=O)NCCOC(=O)C(=C)C

DOS

IR

Vibrations