Geometry & MOs

Info

ID:	271918
PubChem CID:	103700141
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	301.04775
ΔH_f, kcal/mol:	73.03
Dipole, Da:	1.39
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NCC2=CSC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations