Geometry & MOs

Info

ID:	279552
PubChem CID:	103844306
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	301.119319
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	1.33
IP(EA), eV:	-9.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(4-hydroxycyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)NC2CCC(CC2)O

DOS

IR

Vibrations