Geometry & MOs

Info

ID:	73425
PubChem CID:	48417666
Reduced:	F3N3O3C20H28 (1)
Stoich.:	A3B3C3D20E28 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-290.68
Dipole, Da:	4.92
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)NCCC(=O)N1CCC(CC1)N(C)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations