Geometry & MOs

Info

ID:	343026
PubChem CID:	127266189
Reduced:	N2F3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-269.65
Dipole, Da:	9.39
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[4-(oxolan-3-yl)piperidine-1-carbonyl]isochromen-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN1C(=O)C2=C(C(=CC=C2)C(F)(F)F)O

DOS

IR

Vibrations