Geometry & MOs

Info

ID:	179278
PubChem CID:	76460936
Reduced:	O4N5H21C24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-14.88
Dipole, Da:	5.03
IP(EA), eV:	-8.86(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-ethyl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methylidene-1-(oxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

COC1=NC=C2C(=C1)CCN2C(=O)C3=CC4=NC(=O)C5=CN=C(N5C4=CC3=C)C6CCOC6

DOS

IR

Vibrations