Geometry & MOs

Info

ID:	319830
PubChem CID:	126657365
Reduced:	ISN3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.084458
ΔH_f, kcal/mol:	112.37
Dipole, Da:	3.78
IP(EA), eV:	-8.65(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10,12-dihydro-[1,5]benzodioxocino[2,3-c]pyridine-8-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NC2=CC(=CC(=C2)C#CSI)C

DOS

IR

Vibrations