Geometry & MOs

Info

ID:	253579
PubChem CID:	103119376
Reduced:	N2O2F3H9C12 (1)
Stoich.:	A2B2C3D9E12 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-165.79
Dipole, Da:	5.78
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)CC(=O)C(F)(F)F

DOS

IR

Vibrations