Geometry & MOs

Info

ID:	6891
PubChem CID:	70401
Reduced:	OH12C18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	244.088815
ΔH_f, kcal/mol:	28.76
Dipole, Da:	2.38
IP(EA), eV:	-8.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[a]anthracen-5-ol

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=CC=CC=C4C(=CC3=CC2=C1)O

DOS

IR

Vibrations