Geometry & MOs

Info

ID:	296171
PubChem CID:	117558700
Reduced:	BrSN2O3C11H17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	158.141913
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	5.19
IP(EA), eV:	-9.74(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(cyclopentylamino)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)CCNS(=O)(=O)C1=C(N=CC(=C1)Br)OC

DOS

IR

Vibrations