Geometry & MOs

Info

ID:	181786
PubChem CID:	76791815
Reduced:	ClN2O2C22H39 (1)
Stoich.:	AB2C2D22E39 (1)
Weight, g/mol:	516.384642
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	2.96
IP(EA), eV:	-9.02(0.92)
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]cyclohexa-1,3-dien-1-yl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)C2=CCC(CC2)Cl)NCOC(C)C

DOS

IR

Vibrations