Geometry & MOs

Info

ID:	314908
PubChem CID:	126623955
Reduced:	ClF2O2N4H11C13 (1)
Stoich.:	AB2C2D4E11F13 (1)
Weight, g/mol:	320.09094
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	3.61
IP(EA), eV:	-9.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-carbamoyl-5-(3-cyanophenyl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NN2)C3=C(C(=CC=C3)Cl)F)C(=O)O)F

DOS

IR

Vibrations