Geometry & MOs

Info

ID:	52090
PubChem CID:	12014874
Reduced:	NH7C11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	442.156895
ΔH_f, kcal/mol:	123.95
Dipole, Da:	2.63
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.04,9.013,18]nonadeca-4(9),5,7,13,15,17-hexaene-3,10-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=CC4=CC5=CC=CC=C5N=C43)C=C2

DOS

IR

Vibrations