Geometry & MOs

Info

ID:	271941
PubChem CID:	103703191
Reduced:	ON5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	257.093104
ΔH_f, kcal/mol:	67.85
Dipole, Da:	3.75
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC2=NC=CN=C2

DOS

IR

Vibrations