Geometry & MOs

Info

ID:	166743
PubChem CID:	74727915
Reduced:	ClN2O4H20C25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	483.249512
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	6.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769201
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2,5-dimethoxyphenyl)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)Cl)[O-]

DOS

IR

Vibrations