Geometry & MOs

Info

ID:	267038
PubChem CID:	103580507
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	4.19
IP(EA), eV:	-9.0(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-2-enyl]-2,2-dimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SCC2CCCO2

DOS

IR

Vibrations