Geometry & MOs

Info

ID:	27751
PubChem CID:	823429
Reduced:	ON3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	67.48
Dipole, Da:	2.11
IP(EA), eV:	-8.16(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,7S,7aR)-2-(2,5-dimethylphenyl)-7-(hydroxymethyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)N

DOS

IR

Vibrations