Geometry & MOs

Info

ID:	269973
PubChem CID:	103621523
Reduced:	FINOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	3.95
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpiperidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)NC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations