Geometry & MOs

Info

ID:	264358
PubChem CID:	103456957
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	3.64
IP(EA), eV:	-9.95(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(5-propan-2-yloxypyridin-3-yl)butane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)CC(C(C2CC2)O)O

DOS

IR

Vibrations