Geometry & MOs

Info

ID:	270938
PubChem CID:	103638853
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	2.11
IP(EA), eV:	-10.09(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(cyclopentylamino)-2,3-dihydro-1H-inden-2-ol;hydrochloride

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations