Geometry & MOs

Info

ID:	170347
PubChem CID:	75219363
Reduced:	ClO3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	425.089082
ΔH_f, kcal/mol:	9.47
Dipole, Da:	4.88
IP(EA), eV:	-9.55(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-7-(6-chloro-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)-2-methyl-5-oxo-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C(=CO2)C3=C(C(=O)N4C(=C3C#N)N=CN4)C#N

DOS

IR

Vibrations