Geometry & MOs

Info

ID:	273430
PubChem CID:	103771107
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	0.99
IP(EA), eV:	-8.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1)O

DOS

IR

Vibrations