Geometry & MOs

Info

ID:	190056
PubChem CID:	77945856
Reduced:	O9C51H100 (1)
Stoich.:	A9B51C100 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-626.0
Dipole, Da:	4.96
IP(EA), eV:	-10.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1,3-dioxetan-2-yl)-3,9a-dihydropyrrolo[2,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OC(CCC1C(C(C(C(O1)CO)O)O)O)C(C(C(C)CCCCCCCCCCCC)O)O

DOS

IR

Vibrations