Geometry & MOs

Info

ID:	199907
PubChem CID:	79316562
Reduced:	ON6C10H14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	94.26
Dipole, Da:	4.97
IP(EA), eV:	-10.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-methylhexan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)C2=CN(N=N2)C3CNC3

DOS

IR

Vibrations