Geometry & MOs

Info

ID:	156452
PubChem CID:	56370680
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	8.12
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CSCC3=CC=C(C=C3)C#N)OC

DOS

IR

Vibrations