Geometry & MOs

Info

ID:	369232
PubChem CID:	127331549
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-179.74
Dipole, Da:	3.54
IP(EA), eV:	-8.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2CC3=C(C=CC(=C3)OC)OC2

DOS

IR

Vibrations