Geometry & MOs

Info

ID:	434665
PubChem CID:	135175457
Reduced:	BrSF2N3O4C29H30 (1)
Stoich.:	ABC2D3E4F29G30 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	6.04
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopentylmethyl)indazol-5-amine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)[C@@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)N

DOS

IR

Vibrations