Geometry & MOs

Info

ID:	307513
PubChem CID:	125307283
Reduced:	BrNO3C6H8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	231.94477
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	1.61
IP(EA), eV:	-10.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-bromo-4,6-difluoro-3H-indazole

Drug info:

PubChemData

Smile

C1[C@H](CNC(=O)[C@@H]1Br)C(=O)O

DOS

IR

Vibrations