Geometry & MOs

Info

ID:	264945
PubChem CID:	103504376
Reduced:	FNSC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	255.202071
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	4.74
IP(EA), eV:	-8.44(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopentyl]methanethiol

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCC2=C1C=C(C=C2)F)CS

DOS

IR

Vibrations