Geometry & MOs

Info

ID:	301050
PubChem CID:	123059637
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	513.251523
ΔH_f, kcal/mol:	-180.86
Dipole, Da:	10.98
IP(EA), eV:	-8.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-1-(2,4-dimethylphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=CC(=C4)C)O

DOS

IR

Vibrations