Geometry & MOs

Info

ID:	199875
PubChem CID:	79311745
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	2.02
IP(EA), eV:	-9.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CN(N=N1)C2CNC2

DOS

IR

Vibrations