Geometry & MOs

Info

ID:	127523
PubChem CID:	51004905
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	144.089878
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	3.28
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R,5R)-5-amino-7-azabicyclo[2.2.1]heptane-2,3-diol

Drug info:

PubChemData

Smile

CCC(=O)[C@H]1[C@H]2CC[C@@H](N2C)C[C@H]1C3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations