Geometry & MOs

Info

ID:	166816
PubChem CID:	74737372
Reduced:	N7C26H38 (1)
Stoich.:	A7B26C38 (1)
Weight, g/mol:	495.285897
ΔH_f, kcal/mol:	98.35
Dipole, Da:	8.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135627
Charge, e:	1

Chem-info

IUPAC name:

dibutyl-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)C(C3=CC=C(C=C3)N(C)C)C4=NN=NN4C(C)(C)C

DOS

IR

Vibrations