Geometry & MOs

Info

ID:	313676
PubChem CID:	126617143
Reduced:	Cl2N3O3C32H35 (1)
Stoich.:	A2B3C3D32E35 (1)
Weight, g/mol:	410.98639
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	3.71
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)CCO

DOS

IR

Vibrations