Geometry & MOs

Info

ID:	46467
PubChem CID:	10524535
Reduced:	IN2S2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	391.121818
ΔH_f, kcal/mol:	38.97
Dipole, Da:	3.18
IP(EA), eV:	-8.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[4-[(2-pyridin-3-ylethylamino)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCNC(=S)CC1=[N+](C2=CC=CC=C2S1)CC.[I-]

DOS

IR

Vibrations