Geometry & MOs

Info

ID:	248545
PubChem CID:	103082493
Reduced:	BrSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	4.59
IP(EA), eV:	-10.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycyclopentyl)-1H-indazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N

DOS

IR

Vibrations