Geometry & MOs

Info

ID:	220
PubChem CID:	2336
Reduced:	H3C5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	252.0939
ΔH_f, kcal/mol:	78.49
Dipole, Da:	0.01
IP(EA), eV:	-8.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[a]pyrene

Drug info:

PubChemData

Smile

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

DOS

IR

Vibrations