Geometry & MOs

Info

ID:	426610
PubChem CID:	135151861
Reduced:	FN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	432.148535
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	5.29
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(azetidine-1-carbonyl)-2-fluorophenyl]methoxy]-2-(isoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)COC2=COC(=CC2=O)CN3C=C4C=CC(=CC4=C3)F

DOS

IR

Vibrations