Geometry & MOs

Info

ID:	173766
PubChem CID:	75679644
Reduced:	ON5C24H30 (1)
Stoich.:	AB5C24D30 (1)
Weight, g/mol:	356.233802
ΔH_f, kcal/mol:	61.16
Dipole, Da:	14.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788268
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(4-piperidin-1-ium-1-ylpiperidin-1-yl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CN=CC=C2)[NH2+]CC3C(=NC(=NC3=O)N4CCCCC4)C

DOS

IR

Vibrations