Geometry & MOs

Info

ID:	131022
PubChem CID:	51146063
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	2.38
IP(EA), eV:	-8.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-methylphenoxy)acetyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

DOS

IR

Vibrations