Geometry & MOs

Info

ID:	297013
PubChem CID:	117605801
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	487.146739
ΔH_f, kcal/mol:	10.53
Dipole, Da:	4.48
IP(EA), eV:	-10.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[1-(oxan-2-yl)-4-oxo-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c][1,5]naphthyridin-7-yl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC(C[C@H]1C=C2)(C#N)C3=CN=CC(=C3)C#N

DOS

IR

Vibrations