Geometry & MOs

Info

ID:	286673
PubChem CID:	104179670
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	2.24
IP(EA), eV:	-8.92(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(C2)NC(C)C(CO)SC

DOS

IR

Vibrations