Geometry & MOs

Info

ID:	136522
PubChem CID:	52055923
Reduced:	FON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	474.143423
ΔH_f, kcal/mol:	4.81
Dipole, Da:	10.44
IP(EA), eV:	-8.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-chlorophenyl)pyridazin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=CC=N2)C3=NN=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations