Geometry & MOs

Info

ID:	286633
PubChem CID:	104179567
Reduced:	SN2O2C16H32 (1)
Stoich.:	AB2C2D16E32 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	2.94
IP(EA), eV:	-8.56(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3-phenylcyclobutyl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CCSCCCNC1CCCCN(C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations