Geometry & MOs

Info

ID:	1254
PubChem CID:	4049
Reduced:	NO5C7H17 (1)
Stoich.:	AB5C7D17 (1)
Weight, g/mol:	195.110673
ΔH_f, kcal/mol:	-239.74
Dipole, Da:	4.26
IP(EA), eV:	-9.67(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methylamino)hexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CNCC(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations