Geometry & MOs

Info

ID:	314790
PubChem CID:	126623164
Reduced:	O3F4N4C11H12 (1)
Stoich.:	A3B4C4D11E12 (1)
Weight, g/mol:	403.089224
ΔH_f, kcal/mol:	-292.69
Dipole, Da:	4.0
IP(EA), eV:	-9.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=NN(C=C2)CC(F)(F)F)C(=O)O)F

DOS

IR

Vibrations