Geometry & MOs

Info

ID:	428541
PubChem CID:	135167600
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-127.44
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=C(C=C2)C(=O)C4=C(O3)C=C5C=C6C(=CC5=C4)OCO6

DOS

IR

Vibrations