Geometry & MOs

Info

ID:	28167
PubChem CID:	825956
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	5.2
IP(EA), eV:	-9.79(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7S,8S,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]

DOS

IR

Vibrations