Geometry & MOs

Info

ID:	369060
PubChem CID:	127331192
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	4.55
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)O)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations