Geometry & MOs

Info

ID:	286670
PubChem CID:	104179663
Reduced:	NSC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	68.85
Dipole, Da:	1.24
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-[(3-phenylcyclobutyl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CC(C2)NCCSCC#C

DOS

IR

Vibrations