Geometry & MOs

Info

ID:	371815
PubChem CID:	131272638
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	203.1674
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	4.1
IP(EA), eV:	-9.66(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)O)SC(=C2C=O)I

DOS

IR

Vibrations