Geometry & MOs

Info

ID:	142379
PubChem CID:	53025217
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	404.20124
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	4.11
IP(EA), eV:	-8.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations