Geometry & MOs

Info

ID:	341908
PubChem CID:	127264601
Reduced:	ClNF2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	314.104957
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	1.5
IP(EA), eV:	-10.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]boronic acid

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C1=C(C=C(C=C1)F)F)N.Cl

DOS

IR

Vibrations