Geometry & MOs

Info

ID:	382926
PubChem CID:	134974365
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	334.15037
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	6.66
IP(EA), eV:	-9.29(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-naphthalen-1-yl-4-piperidin-1-ylpyridine-2-thione

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=O)O[C@@H]1/C(=C/[C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC)/C

DOS

IR

Vibrations