Geometry & MOs

Info

ID:	221121
PubChem CID:	85256887
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-203.01
Dipole, Da:	4.51
IP(EA), eV:	-9.58(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-penta-1,3-dienyl-2,6,7,8a-tetrahydrocyclopenta[g]isoquinoline-1,8,9-trione

Drug info:

PubChemData

Smile

CC1(OC2C(COC2(O1)CO)OCC3=CC=CC=C3)C

DOS

IR

Vibrations