Geometry & MOs

Info

ID:

181780

PubChem CID:

76791809

Reduced:

ClN3C33H58 (1)

Stoich.:

AB3C33D58 (1)

Weight, g/mol:

530.400292

ΔHf, kcal/mol:

-62.36

Dipole, Da:

5.25

IP(EA), eV:

 -8.1(1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-N-[[3-cyclohexyl-5-(methoxymethyl)cyclohexen-1-yl]methyl]-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCNC1CCCC(=C1)C2CCCC(C2)CNC(CN3CCC(C(C3)(C)C)C4CCC(=CC4)Cl)C(C)C

DOS

IR

Vibrations