Geometry & MOs

Info

ID:	191182
PubChem CID:	78115807
Reduced:	N2O2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	312.127406
ΔH_f, kcal/mol:	-6.74
Dipole, Da:	3.93
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidin-2-ylmethoxy)-5-[2-(3-fluoro-5-methoxyphenyl)ethynyl]pyridine

Drug info:

PubChemData

Smile

CC(C=O)C1(C2=CC=CC=C2NC1=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations