Geometry & MOs

Info

ID:	82398
PubChem CID:	49855980
Reduced:	NC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	222.092376
ΔH_f, kcal/mol:	0.39
Dipole, Da:	2.23
IP(EA), eV:	-8.85(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-N-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC2[C@H]3[C@@H]2CNC3

DOS

IR

Vibrations