Geometry & MOs

Info

ID:	217874
PubChem CID:	85088521
Reduced:	O9C20H24 (1)
Stoich.:	A9B20C24 (1)
Weight, g/mol:	408.132136
ΔH_f, kcal/mol:	-346.53
Dipole, Da:	3.57
IP(EA), eV:	-9.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4,6-dimethyl-2-(4-oxo-4aH-pyrano[3,2-b]indol-3-yl)-1,2-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(=C(C(CC(=O)OC)OC(=O)C(C1=CC=CC=C1)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations