Geometry & MOs

Info

ID:	269309
PubChem CID:	103616953
Reduced:	ClOSN2F3H8C9 (1)
Stoich.:	ABCD2E3F8G9 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-178.7
Dipole, Da:	3.65
IP(EA), eV:	-10.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]methylurea

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)NCCSC(F)(F)F)Cl

DOS

IR

Vibrations