Geometry & MOs

Info

ID:	260115
PubChem CID:	103181664
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-112.76
Dipole, Da:	6.32
IP(EA), eV:	-9.24(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol

Drug info:

PubChemData

Smile

CCC(=O)C1=CN(C=C1)CCOCCCOC

DOS

IR

Vibrations