Geometry & MOs

Info

ID:	323853
PubChem CID:	126676346
Reduced:	ClN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	29.76
Dipole, Da:	2.91
IP(EA), eV:	-8.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylphenyl)-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2CCNC(C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations