Geometry & MOs

Info

ID:	345778
PubChem CID:	127270078
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-193.75
Dipole, Da:	6.41
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-methyl-N-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations