Geometry & MOs

Info

ID:	428539
PubChem CID:	135167597
Reduced:	O2F3H11C19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	6.87
IP(EA), eV:	-9.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-2-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)C(=O)C4=C(O3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations