Geometry & MOs

Info

ID:	165694
PubChem CID:	74584594
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	439.296068
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	5.3
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[(1-benzylpiperidin-1-ium-4-yl)amino]methyl]-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C=CC2=C(N(N=C2)C)C)O)C(=O)O1

DOS

IR

Vibrations