Geometry & MOs

Info

ID:	279568
PubChem CID:	103844359
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	5.05
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=CC(=CC2=NC=NN12)C)CO

DOS

IR

Vibrations