Geometry & MOs

Info

ID:	428526
PubChem CID:	135167576
Reduced:	O4H14C19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	290.094294
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	2.14
IP(EA), eV:	-8.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC3=C(C2=O)C=C4C(=C3)C=CC=C4OC

DOS

IR

Vibrations