Geometry & MOs

Info

ID:	156633
PubChem CID:	56371438
Reduced:	ClOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	38.08
Dipole, Da:	8.63
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CSCCC(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl

DOS

IR

Vibrations