Geometry & MOs

Info

ID:	3273
PubChem CID:	9422
Reduced:	H14C19 (1)
Stoich.:	A14B19 (1)
Weight, g/mol:	242.10955
ΔH_f, kcal/mol:	63.58
Dipole, Da:	0.89
IP(EA), eV:	-8.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylbenzo[a]anthracene

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13

DOS

IR

Vibrations