Geometry & MOs

Info

ID:	144941
PubChem CID:	53434850
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	272.01165
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	5.78
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11aH-naphtho[2,3-e][1]benzogallole

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=CC(=O)OC)Cl)OC

DOS

IR

Vibrations