Geometry & MOs

Info

ID:	71343
PubChem CID:	48414660
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	368.164854
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	4.94
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations