Geometry & MOs

Info

ID:	199910
PubChem CID:	79316712
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	10.54
Dipole, Da:	0.7
IP(EA), eV:	-9.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)C2=CN(N=N2)C3CNC3

DOS

IR

Vibrations