Geometry & MOs

Info

ID:	204877
PubChem CID:	80024684
Reduced:	FNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.186421
ΔH_f, kcal/mol:	-38.73
Dipole, Da:	4.02
IP(EA), eV:	-8.72(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclobutyl]methanethiol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)N(C)CCCCS

DOS

IR

Vibrations