Geometry & MOs

Info

ID:	131314
PubChem CID:	51189130
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	4.27
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C3CCOCC3

DOS

IR

Vibrations