Geometry & MOs

Info

ID:	433554
PubChem CID:	135173694
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	419.155515
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-cyclobutylsulfanylphenyl)methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=C(C3)C=C(C=C4)OC

DOS

IR

Vibrations