Geometry & MOs

Info

ID:	83533
PubChem CID:	49857712
Reduced:	O3N5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	258.069054
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	8.61
IP(EA), eV:	-9.05(-0.7)
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;hydrochloride

Drug info:

PubChemData

Smile

CC(C)COCCONC(=O)C1=CN=C(N=C1)N2CC3C(C2)C3CNCC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations