Geometry & MOs

Info

ID:	321858
PubChem CID:	126667087
Reduced:	BrN3O3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	129.115364
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	8.8
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S)-2-amino-3,4-dimethylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1CCCN1C2=CC(=C(C=C2[N+](=O)[O-])Br)OC

DOS

IR

Vibrations