Geometry & MOs

Info

ID:	170985
PubChem CID:	75308461
Reduced:	ClSN4C16H24 (2)
Stoich.:	ABC4D16E24 (2)
Weight, g/mol:	436.204819
ΔH_f, kcal/mol:	55.65
Dipole, Da:	12.77
IP(EA), eV:	-8.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride

Drug info:

PubChemData

Smile

CN(C)CCCCCNC(=S)NN=CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNC(=S)NCCCCCN(C)C.Cl.Cl

DOS

IR

Vibrations