Geometry & MOs

Info

ID:	286672
PubChem CID:	104179669
Reduced:	FNOSC15H22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	2.42
IP(EA), eV:	-8.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations