Geometry & MOs

Info

ID:	132435
PubChem CID:	51362108
Reduced:	NO6H15C16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	536.278741
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	2.64
IP(EA), eV:	-10.8(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(3-morpholin-4-ylpropyl)propanamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O2

DOS

IR

Vibrations