Geometry & MOs

Info

ID:	272439
PubChem CID:	103743083
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	5.39
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NCC3(CCOCC3)C)C

DOS

IR

Vibrations