Geometry & MOs

Info

ID:	233242
PubChem CID:	89449478
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	47.23
Dipole, Da:	5.69
IP(EA), eV:	-10.15(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine

Drug info:

PubChemData

Smile

CC(C)C(CC#C)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations