Geometry & MOs

Info

ID:	162457
PubChem CID:	57394724
Reduced:	NO6H25C28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-140.75
Dipole, Da:	6.05
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-[4-(aminomethyl)phenyl]-5-(4-ethylphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations