Geometry & MOs

Info

ID:	428515
PubChem CID:	135167565
Reduced:	O3H14C19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	290.094294
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	3.11
IP(EA), eV:	-8.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-8-methylbenzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)OC4=C(C3=O)C=C(C=C4)OC

DOS

IR

Vibrations