Geometry & MOs

Info

ID:	293227
PubChem CID:	117377587
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-21.03
Dipole, Da:	0.79
IP(EA), eV:	-8.66(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1,3-benzoxathiol-6-yl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CNCC(C1=CC=C(C=C1)CN2CCNCC2)O

DOS

IR

Vibrations