Geometry & MOs

Info

ID:	426614
PubChem CID:	135152147
Reduced:	NF3O4C10H14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	-311.58
Dipole, Da:	5.17
IP(EA), eV:	-10.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)OC(=O)C(F)(F)F

DOS

IR

Vibrations