Geometry & MOs

Info

ID:	166643
PubChem CID:	74720899
Reduced:	FO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	461.21888
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761489
Charge, e:	1

Chem-info

IUPAC name:

4-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-hydroxymethylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2C(=C3C(N(C(=O)C3=O)CCC[NH+](C)C)C4=CC=C(C=C4)F)O)C

DOS

IR

Vibrations