Geometry & MOs

Info

ID:	156587
PubChem CID:	56371255
Reduced:	O4N5H13C17 (1)
Stoich.:	A4B5C13D17 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	17.37
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations