Geometry & MOs

Info

ID:	395571
PubChem CID:	135025868
Reduced:	NO9C41H45 (1)
Stoich.:	AB9C41D45 (1)
Weight, g/mol:	267.98474
ΔH_f, kcal/mol:	-285.63
Dipole, Da:	1.42
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(1,3-dioxolan-2-yl)-1H-indazole

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/C(=O)OCC)\N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations