Geometry & MOs

Info

ID:	319279
PubChem CID:	126655524
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	110.088101
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	3.93
IP(EA), eV:	-8.71(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4,4-tetradeuteriobutane-1,2,4-triol

Drug info:

PubChemData

Smile

C1CO[C@H]2CN(C[C@H]2O1)C3=CC=NN3

DOS

IR

Vibrations