Geometry & MOs

Info

ID:	121453
PubChem CID:	50768550
Reduced:	ClFN3H11C17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	43.35
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC2=C3C=C(C=CC3=NC=C2C#N)Cl

DOS

IR

Vibrations