Geometry & MOs

Info

ID:	194608
PubChem CID:	78561127
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	4.05
IP(EA), eV:	-8.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C#N)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations