Geometry & MOs

Info

ID:	301115
PubChem CID:	123059916
Reduced:	NO2C17H17 (2)
Stoich.:	AB2C17D17 (2)
Weight, g/mol:	541.08887
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	7.43
IP(EA), eV:	-7.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(3-bromophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations