Geometry & MOs

Info

ID:	10821
PubChem CID:	108281
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	29.43
Dipole, Da:	1.58
IP(EA), eV:	-8.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole

Drug info:

PubChemData

Smile

CCN1CC2C=CC3=C(C2C1)CCC=C3

DOS

IR

Vibrations