Geometry & MOs

Info

ID:	344036
PubChem CID:	127267212
Reduced:	ClN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	301.082934
ΔH_f, kcal/mol:	-151.41
Dipole, Da:	6.58
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-5-(4-hydroxybutylcarbamoylamino)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC(=C(N=C2)C(=O)OC)Cl

DOS

IR

Vibrations