Geometry & MOs

Info

ID:	437143
PubChem CID:	135215187
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	606.358842
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	0.77
IP(EA), eV:	-9.49(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[2-[[[6-amino-2-[[1-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methylamino]hexyl]amino]methoxy]ethoxy]ethoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

C#CCCOCCOCCOCCN

DOS

IR

Vibrations