Geometry & MOs

Info

ID:	350308
PubChem CID:	127277386
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	2.04
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations