Geometry & MOs

Info

ID:	54532
PubChem CID:	17388843
Reduced:	ClN2O4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	329.100499
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	1.57
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-(4-chlorophenyl)methanethione

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)Cl.C(=O)(C(=O)O)O

DOS

IR

Vibrations