Geometry & MOs

Info

ID:	372086
PubChem CID:	131293104
Reduced:	SO3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	6.99
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-methyl-1-(6-methyl-[1,3]oxazolo[5,4-c]pyridin-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C=C(O2)C(=O)O

DOS

IR

Vibrations