Geometry & MOs

Info

ID:	286671
PubChem CID:	104179667
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	283.140614
ΔH_f, kcal/mol:	-30.72
Dipole, Da:	2.35
IP(EA), eV:	-8.63(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1CC(C1)C2=CC=CC=C2

DOS

IR

Vibrations