Geometry & MOs

Info

ID:	335984
PubChem CID:	127254991
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	555.204573
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	5.95
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC(=O)C(=CN3)OC)OC

DOS

IR

Vibrations