Geometry & MOs

Info

ID:	205192
PubChem CID:	80066872
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-166.6
Dipole, Da:	6.03
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridin-3-yl)-3-propoxypropan-2-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCC(CC1=CN=C(C=C1)OC)O

DOS

IR

Vibrations