Geometry & MOs

Info

ID:	297268
PubChem CID:	117614308
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	405.177645
ΔH_f, kcal/mol:	38.31
Dipole, Da:	4.93
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]anilino]-1-cyclohexyl-2H-pyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=NC=CC2=C1C(=NN2[C@H]3CCC4(CC4)C[C@@H]3C#N)N

DOS

IR

Vibrations