Geometry & MOs

Info

ID:	159471
PubChem CID:	57287809
Reduced:	NO2C13H22 (2)
Stoich.:	AB2C13D22 (2)
Weight, g/mol:	226.082781
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	6.79
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R,4R)-10-amino-4-(hydroxymethyl)-3,7-dioxa-9-aza-1-azoniatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-5-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations