Geometry & MOs

Info

ID:	302889
PubChem CID:	124398044
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	140.058578
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	3.1
IP(EA), eV:	-9.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3,4-dihydroxyhexanedinitrile

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2OC[C@H]1N

DOS

IR

Vibrations