Geometry & MOs

Info

ID:	149333
PubChem CID:	53789005
Reduced:	ClSN3O6C29H32 (1)
Stoich.:	ABC3D6E29F32 (1)
Weight, g/mol:	197.21435
ΔH_f, kcal/mol:	-206.59
Dipole, Da:	6.19
IP(EA), eV:	-9.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CCCC(CCC)OC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations