Geometry & MOs

Info

ID:	272935
PubChem CID:	103768141
Reduced:	SO2N5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	25.6
Dipole, Da:	1.31
IP(EA), eV:	-9.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NC2=NC=NN2C

DOS

IR

Vibrations