Geometry & MOs

Info

ID:	176655
PubChem CID:	76079674
Reduced:	NOC2H2 (3)
Stoich.:	ABC2D2 (3)
Weight, g/mol:	323.186336
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	8.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788759
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chlorohexoxy)-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=O)C(=O)N=[N+]1CCC=O

DOS

IR

Vibrations