Geometry & MOs

Info

ID:	367542
PubChem CID:	127324910
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	5.01
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations