Geometry & MOs

Info

ID:	309288
PubChem CID:	126542554
Reduced:	NO2H77C80 (1)
Stoich.:	AB2C77D80 (1)
Weight, g/mol:	285.078979
ΔH_f, kcal/mol:	48.51
Dipole, Da:	2.98
IP(EA), eV:	-8.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenylbenzo[h]quinoline-5,6-dione

Drug info:

Smile

CCCCC1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=CC=C3)C4=C5C(=C(C=C4)C6=CC=CC(=C6C7=CC8=C(C=C7)C=C(C=C8)CCCC)C9=CC1=C(C=C9)C=C(C=C1)CCCC)C(=O)N(C5=O)CCCC)C1=CC2=C(C=C1)C=C(C=C2)CCCC

DOS

IR

Vibrations