Geometry & MOs

Info

ID:	203156
PubChem CID:	79788453
Reduced:	IN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	66.28
Dipole, Da:	3.69
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(tert-butylamino)methyl]pyridin-3-yl]oxy-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=C(C=N2)C3=CC=CC=C3I

DOS

IR

Vibrations