Geometry & MOs

Info

ID:	217402
PubChem CID:	85087763
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-235.14
Dipole, Da:	2.12
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(10a-methyl-5-oxo-1,2,3,10-tetrahydropyrrolo[1,2-b]isoquinolin-10-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1(OCC2(O1)C(C(C(CO2)O)O)OCC3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations