Geometry & MOs

Info

ID:	20710
PubChem CID:	585330
Reduced:	NO4H19C23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	373.131408
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	2.95
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-3-hydroxyisoindol-1-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3(CC5=CC=CC=C5)O

DOS

IR

Vibrations