Geometry & MOs

Info

ID:	215945
PubChem CID:	85085483
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	32.38
Dipole, Da:	3.68
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1,2,3,3a,5,9b-hexahydrocyclopenta[c]isoquinoline

Drug info:

PubChemData

Smile

C1CC=CC(=[N+](CC2=CC=CC=C2)[O-])C1

DOS

IR

Vibrations