Geometry & MOs

Info

ID:	427762
PubChem CID:	135162224
Reduced:	O2N7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	489.23516
ΔH_f, kcal/mol:	29.49
Dipole, Da:	9.33
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylamino)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]-2H-pyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(C=C1)C=C(C=C2)N/C(=C\3/C(=CC=NC3=O)NC(C#N)[C@H]4CCCOC4)/N

DOS

IR

Vibrations