Geometry & MOs

Info

ID:	9366
PubChem CID:	88620
Reduced:	H4C5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	61.59
Dipole, Da:	0.25
IP(EA), eV:	-8.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,12-dimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=C2C=C3C=CC4=CC=CC=C4C3=C(C2=CC=C1)C

DOS

IR

Vibrations