Geometry & MOs

Info

ID:	355865
PubChem CID:	127290717
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-162.27
Dipole, Da:	4.19
IP(EA), eV:	-9.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)NCC2COCCO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations