Geometry & MOs

Info

ID:	328643
PubChem CID:	126726223
Reduced:	NO3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	344.116092
ΔH_f, kcal/mol:	15.41
Dipole, Da:	5.15
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6-oxo-N-[[4-(2-phenylethynyl)phenyl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNCC3=CC(=O)C(=CO3)O

DOS

IR

Vibrations