Geometry & MOs

Info

ID:	199904
PubChem CID:	79316540
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	6.25
Dipole, Da:	0.71
IP(EA), eV:	-9.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azetidin-3-yl)triazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C(C)C)NC(=O)C1=CN(N=N1)C2CNC2

DOS

IR

Vibrations