Geometry & MOs

Info

ID:	163913
PubChem CID:	74380766
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	23.48
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=CC3=C2C=CN=C3)C

DOS

IR

Vibrations