Geometry & MOs

Info

ID:	173570
PubChem CID:	75654701
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	524.228442
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	2.56
IP(EA), eV:	-8.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-(4-butoxy-3-ethoxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C3C(=NN=C3OC(=C2C#N)N)C4=CC(=CC=C4)OC)OCC

DOS

IR

Vibrations