Geometry & MOs

Info

ID:	3078
PubChem CID:	9128
Reduced:	H3C5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	252.0939
ΔH_f, kcal/mol:	74.98
Dipole, Da:	0.04
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[e]pyrene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4

DOS

IR

Vibrations