Geometry & MOs

Info

ID:	27760
PubChem CID:	823460
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-49.94
Dipole, Da:	2.49
IP(EA), eV:	-8.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,7R,7aS)-7-methyl-2-(2,4,6-trimethylphenyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations