Geometry & MOs

Info

ID:	353444
PubChem CID:	127285003
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-34.13
Dipole, Da:	5.08
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=CN=NS3

DOS

IR

Vibrations