Geometry & MOs

Info

ID:	37882
PubChem CID:	8025306
Reduced:	NF3O3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	304.071114
ΔH_f, kcal/mol:	-274.31
Dipole, Da:	3.01
IP(EA), eV:	-10.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[2-(trifluoromethyl)phenyl]methylidene]chromen-4-one

Drug info:

PubChemData

Smile

CC(=NCC(OC)OC)CC(=O)C(F)(F)F

DOS

IR

Vibrations