Geometry & MOs

Info

ID:	227196
PubChem CID:	87560527
Reduced:	ClON2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	425.162057
ΔH_f, kcal/mol:	14.65
Dipole, Da:	5.17
IP(EA), eV:	-8.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(butylaminomethyl)-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

C1=C/C(=C\NN)/C(=O)C(=C1)Cl

DOS

IR

Vibrations