Geometry & MOs

Info

ID:	156541
PubChem CID:	56371070
Reduced:	NO5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	5.32
IP(EA), eV:	-8.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CCC3=C(C(=CC=C3)OC)OC)OC

DOS

IR

Vibrations