Geometry & MOs

Info

ID:	181781
PubChem CID:	76791810
Reduced:	ClON2C33H55 (1)
Stoich.:	ABC2D33E55 (1)
Weight, g/mol:	470.342777
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	4.93
IP(EA), eV:	-8.14(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantyl)ethyl]-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(C)C(CN1CCC(C(C1)(C)C)C2CC=C(C=C2)Cl)NCC3=CC(CC(C3)COC)C4CCCCC4

DOS

IR

Vibrations