Geometry & MOs

Info

ID:	11669
PubChem CID:	118781
Reduced:	H6C7 (3)
Stoich.:	A6B7 (3)
Weight, g/mol:	270.140851
ΔH_f, kcal/mol:	55.82
Dipole, Da:	1.38
IP(EA), eV:	-7.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,10,12-trimethylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C=CC4=CC=CC=C43)C(=C2C=C1)C)C

DOS

IR

Vibrations