Geometry & MOs

Info

ID:	48466
PubChem CID:	10585676
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	5.4
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,5R,6R)-6-(aminomethyl)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=N1)C=O)N2CCCC2

DOS

IR

Vibrations