Geometry & MOs

Info

ID:	233090
PubChem CID:	87692401
Reduced:	N4Cl7H9C13 (1)
Stoich.:	A4B7C9D13 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	63.04
Dipole, Da:	4.28
IP(EA), eV:	-9.37(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroperoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-2H-pyridine

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Cl

DOS

IR

Vibrations