Geometry & MOs

Info

ID:	3259
PubChem CID:	9407
Reduced:	H4C5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	76.42
Dipole, Da:	1.26
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,12-dimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=CC3=CC4=CC=CC=C4C(=C32)C

DOS

IR

Vibrations