Geometry & MOs

Info

ID:	141602
PubChem CID:	52900727
Reduced:	ClSF2N6H7C9 (1)
Stoich.:	ABC2D6E7F9 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	30.45
Dipole, Da:	9.35
IP(EA), eV:	-9.88(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NN3C(=NN=C3S2)C(F)(F)Cl

DOS

IR

Vibrations