Geometry & MOs

Info

ID:	79502
PubChem CID:	49786870
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	545.24269
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	4.94
IP(EA), eV:	-8.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[(4-phenylphenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)N(C)C(=O)C4=CC=CO4

DOS

IR

Vibrations