Geometry & MOs

Info

ID:	442075
PubChem CID:	135249278
Reduced:	NO2C6H15 (1)
Stoich.:	AB2C6D15 (1)
Weight, g/mol:	416.126024
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	1.99
IP(EA), eV:	-10.22(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(C)(O)ON

DOS

IR

Vibrations