Geometry & MOs

Info

ID:	199913
PubChem CID:	79316868
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	5.28
Dipole, Da:	1.01
IP(EA), eV:	-9.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC(C1C)NC(=O)C2=CN(N=N2)C3CNC3

DOS

IR

Vibrations