Geometry & MOs

Info

ID:	20505
PubChem CID:	584345
Reduced:	NOSC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	235.103085
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	6.69
IP(EA), eV:	-8.13(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-piperidin-1-ylmethanethione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=S)N2CCCCC2

DOS

IR

Vibrations