Geometry & MOs

Info

ID:	40841
PubChem CID:	8144804
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	339.207253
ΔH_f, kcal/mol:	-25.8
Dipole, Da:	4.71
IP(EA), eV:	-9.1(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aR,7aR)-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations