Geometry & MOs

Info

ID:	320431
PubChem CID:	126660893
Reduced:	O3F5N6H25C28 (1)
Stoich.:	A3B5C6D25E28 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-224.1
Dipole, Da:	1.64
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroperoxy-5-(oxan-4-ylmethoxy)pyridine

Drug info:

PubChemData

Smile

CNC(=O)C(=O)C1CCCCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=C(C(=CC(=C5F)F)F)F)F)N

DOS

IR

Vibrations