Geometry & MOs

Info

ID:	343489
PubChem CID:	127266662
Reduced:	F3O3N5H10C12 (1)
Stoich.:	A3B3C5D10E12 (1)
Weight, g/mol:	308.078851
ΔH_f, kcal/mol:	-178.15
Dipole, Da:	3.33
IP(EA), eV:	-10.27(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CN=C1)N2C=C(N=N2)CNC(=O)C(F)(F)F

DOS

IR

Vibrations