Geometry & MOs

Info

ID:	264252
PubChem CID:	103446806
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	2.81
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-5-methylpyridin-3-yl)-2-hydroxy-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CCC1=CSC=C1)O

DOS

IR

Vibrations