Geometry & MOs

Info

ID:	380019
PubChem CID:	134964491
Reduced:	NO4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	228.175225
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	4.95
IP(EA), eV:	-10.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aR,6aS)-6a-[(E)-3-phenylprop-2-enyl]-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-1-ium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3C=CC=C(C3C2=O)[N+](=O)[O-]

DOS

IR

Vibrations