Geometry & MOs

Info

ID:	3278
PubChem CID:	9428
Reduced:	H4C5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	52.2
Dipole, Da:	0.31
IP(EA), eV:	-8.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=CC4=C(C=C(C=C4)C)C=C3C=C2

DOS

IR

Vibrations