Geometry & MOs

Info

ID:	261181
PubChem CID:	103221477
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	1.64
Dipole, Da:	9.57
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC=CN1CCN2C(=O)C=C(C=N2)NCC(C)C

DOS

IR

Vibrations