Geometry & MOs

Info

ID:	170346
PubChem CID:	75219362
Reduced:	ClO3N5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	369.062867
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	6.81
IP(EA), eV:	-9.58(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6-chloro-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)-5-oxo-3H-[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)N(C(=C3C#N)N)N)C#N

DOS

IR

Vibrations