Geometry & MOs

Info

ID:	181779
PubChem CID:	76791808
Reduced:	ClN3C20H38 (1)
Stoich.:	AB3C20D38 (1)
Weight, g/mol:	531.431927
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	4.07
IP(EA), eV:	-8.24(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[[1-[4-(4-chlorocyclohex-3-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]cyclohexyl]-N-ethylcyclohex-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)C(CN1CCC(C(C1)(C)C)C2CCC(=CC2)Cl)NCCN

DOS

IR

Vibrations