Geometry & MOs

Info

ID:	238927
PubChem CID:	93165737
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	2.83
IP(EA), eV:	-8.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-2-amino-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1[C@@H](CN)C2=CC(=C(C(=C2)OC)O)CC=C)C

DOS

IR

Vibrations