Geometry & MOs

Info

ID:	156487
PubChem CID:	56370815
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	3.25
IP(EA), eV:	-8.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3CCCN(C3)C4=NC=CN=C4)OC

DOS

IR

Vibrations