Geometry & MOs

Info

ID:	294620
PubChem CID:	117474534
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	42.82
Dipole, Da:	5.06
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indazole

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C(=N1)Br)CC3CCCN3

DOS

IR

Vibrations