Geometry & MOs

Info

ID:	57824
PubChem CID:	24277578
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	1.83
IP(EA), eV:	-7.98(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-9-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCN1CCC2=C1C=CC(=C2)C(C(C)C)N

DOS

IR

Vibrations