Geometry & MOs

Info

ID:	202875
PubChem CID:	79736465
Reduced:	BrSO2N4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	355.13109
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	10.28
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[2-(3-bromo-4-fluorophenyl)ethyl]cyclopentyl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCN1C=C(N=C1C)S(=O)(=O)NC2=NC=C(C(=C2)C)Br

DOS

IR

Vibrations