Geometry & MOs

Info

ID:	76631
PubChem CID:	48425170
Reduced:	SN2O2F3C18H25 (1)
Stoich.:	AB2C2D3E18F25 (1)
Weight, g/mol:	404.203525
ΔH_f, kcal/mol:	-228.66
Dipole, Da:	2.5
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations