Geometry & MOs

Info

ID:	288561
PubChem CID:	104319768
Reduced:	BrOSN2C15H23 (1)
Stoich.:	ABCD2E15F23 (1)
Weight, g/mol:	252.144948
ΔH_f, kcal/mol:	-38.4
Dipole, Da:	2.87
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1,1,1-trifluorobutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCC(C(C1=CC(=CS1)Br)N2CC3CCC(C3C2)O)N

DOS

IR

Vibrations