Geometry & MOs

Info

ID:	273164
PubChem CID:	103770607
Reduced:	ClN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	304.074533
ΔH_f, kcal/mol:	-84.11
Dipole, Da:	4.02
IP(EA), eV:	-10.24(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(C(=NC=C1)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations