Geometry & MOs

Info

ID:	358352
PubChem CID:	127295897
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	3.76
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations