Geometry & MOs

Info

ID:	6582
PubChem CID:	69055
Reduced:	H4C5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	60.67
Dipole, Da:	1.71
IP(EA), eV:	-8.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=C2C(=C3C=CC4=CC=CC=C4C3=CC2=CC=C1)C

DOS

IR

Vibrations