Geometry & MOs

Info

ID:	227839
PubChem CID:	87562665
Reduced:	C7O8H10 (1)
Stoich.:	A7B8C10 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-362.97
Dipole, Da:	4.17
IP(EA), eV:	-11.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-N-(oxan-2-yloxy)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C(C(CC(C(=O)O)(O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations