Geometry & MOs

Info

ID:	227631
PubChem CID:	87562130
Reduced:	ON2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	119.93
Dipole, Da:	3.63
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC(=CC(=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations