Geometry & MOs

Info

ID:	191627
PubChem CID:	78169767
Reduced:	ClO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	125.058912
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803155
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-methyl-3H-pyridazin-4-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=NC3=[N+](C(=O)N(C(=O)C3=N2)C)C.Cl

DOS

IR

Vibrations