Geometry & MOs

Info

ID:	194111
PubChem CID:	78484177
Reduced:	N2O2C18H25 (1)
Stoich.:	A2B2C18D25 (1)
Weight, g/mol:	213.123917
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756786
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

DOS

IR

Vibrations