Geometry & MOs

Info

ID:	209693
PubChem CID:	80704171
Reduced:	ClSN2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	5.22
IP(EA), eV:	-10.15(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

COCC(CNS(=O)(=O)C1=C(C=CC(=C1)C#N)Cl)O

DOS

IR

Vibrations