Geometry & MOs

Info

ID:	382578
PubChem CID:	134973828
Reduced:	O3C18H34 (1)
Stoich.:	A3B18C34 (1)
Weight, g/mol:	325.146664
ΔH_f, kcal/mol:	-199.36
Dipole, Da:	1.61
IP(EA), eV:	-9.49(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-4-phenyl-5,11b-dihydroisoindolo[1,2-a]isoindol-7-one

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@@H](OC1C)O[C@H]2C(C([C@@H](OC2C)C)C)C)C)C

DOS

IR

Vibrations