Geometry & MOs

Info

ID:	227811
PubChem CID:	87562554
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	341.105193
ΔH_f, kcal/mol:	26.96
Dipole, Da:	2.0
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C#CC1=CC=C(C=C1)CCN2CCC(=O)CC2

DOS

IR

Vibrations