Geometry & MOs

Info

ID:	336656
PubChem CID:	127255663
Reduced:	BrClN2O2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	289.93608
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	2.69
IP(EA), eV:	-10.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methylindazole-3-sulfonic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(C=C1)Br)NC(=O)OC(C)(C)C.Cl

DOS

IR

Vibrations