Geometry & MOs

Info

ID:	261113
PubChem CID:	103218215
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	219.08079
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	5.75
IP(EA), eV:	-9.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(2-fluorophenyl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C(=O)C=C(C=N1)N

DOS

IR

Vibrations