Geometry & MOs

Info

ID:	199912
PubChem CID:	79316825
Reduced:	ON6C11H20 (1)
Stoich.:	AB6C11D20 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	30.07
Dipole, Da:	1.04
IP(EA), eV:	-8.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-(3-ethyl-2-methylcyclopentyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=CN(N=N1)C2CNC2

DOS

IR

Vibrations