Geometry & MOs

Info

ID:	165585
PubChem CID:	74570470
Reduced:	ON3C8H18 (1)
Stoich.:	AB3C8D18 (1)
Weight, g/mol:	496.257337
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	3.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752635
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(diethylazaniumyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-hydroxy-5-methylphenyl)methanolate

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)N

DOS

IR

Vibrations