Geometry & MOs

Info

ID:	124919
PubChem CID:	50903328
Reduced:	NO3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	5.01
IP(EA), eV:	-9.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12C=C[C@](O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])CO

DOS

IR

Vibrations