Geometry & MOs

Info

ID:	156464
PubChem CID:	56370734
Reduced:	F2N3O4C25H31 (1)
Stoich.:	A2B3C4D25E31 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-230.4
Dipole, Da:	1.34
IP(EA), eV:	-8.89(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(=O)N2CCCN(CC2)CCCC3=CC=CC=C3)OC(F)F

DOS

IR

Vibrations