Geometry & MOs

Info

ID:	296154
PubChem CID:	117558379
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	8.17
Dipole, Da:	3.23
IP(EA), eV:	-8.5(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC(=N2)C#N

DOS

IR

Vibrations