Geometry & MOs

Info

ID:	279598
PubChem CID:	103844435
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	317.07389
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	3.25
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=NC2=C1SC=C2)CO

DOS

IR

Vibrations