Geometry & MOs

Info

ID:	228258
PubChem CID:	87563756
Reduced:	FOSH7C11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	341.105193
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	2.99
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC=C2C=O)F

DOS

IR

Vibrations