Geometry & MOs

Info

ID:	261182
PubChem CID:	103221520
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	5.5
IP(EA), eV:	-8.32(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CNC1=CC(=O)N(N=C1)CCSC

DOS

IR

Vibrations