Geometry & MOs

Info

ID:	137126
PubChem CID:	52155411
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	510.28422
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	8.05
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methylidene]-5-(3-methoxy-4-propoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)[C@@H]2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C

DOS

IR

Vibrations