Geometry & MOs

Info

ID:	9367
PubChem CID:	88622
Reduced:	H6C7 (3)
Stoich.:	A6B7 (3)
Weight, g/mol:	270.140851
ΔH_f, kcal/mol:	63.89
Dipole, Da:	1.3
IP(EA), eV:	-7.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,12-trimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C(C4=CC=CC=C4C(=C13)C)C

DOS

IR

Vibrations