Geometry & MOs

Info

ID:	204816
PubChem CID:	80013093
Reduced:	FSN2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	308.172248
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	3.53
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanethiol

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCN(CC1)C2=CC=CC=C2F)CS

DOS

IR

Vibrations