Geometry & MOs

Info

ID:	3102
PubChem CID:	9158
Reduced:	H3C5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	252.0939
ΔH_f, kcal/mol:	91.31
Dipole, Da:	0.08
IP(EA), eV:	-8.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[k]fluoranthene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1

DOS

IR

Vibrations