Geometry & MOs

Info

ID:	356021
PubChem CID:	127291050
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	4.92
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-2-propan-2-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations