Geometry & MOs

Info

ID:	412425
PubChem CID:	135085316
Reduced:	N3H11C12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	382.175579
ΔH_f, kcal/mol:	76.99
Dipole, Da:	5.86
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-[(E)-11,11,11-trifluoroundec-8-enoxy]chromen-2-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)/C(=C\C#N)/N

DOS

IR

Vibrations