Geometry & MOs

Info

ID:	156451
PubChem CID:	56370677
Reduced:	OCl2N2H8C9 (2)
Stoich.:	AB2C2D8E9 (2)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	6.22
IP(EA), eV:	-8.82(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=CC=CC=C2NC(=O)C3=NC(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations