Geometry & MOs

Info

ID:	146247
PubChem CID:	53659247
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	3.7
IP(EA), eV:	-9.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-azabicyclo[3.2.1]octan-8-amine

Drug info:

PubChemData

Smile

CC(C)OCCOC(=O)C1=C(N=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations