Geometry & MOs

Info

ID:	305058
PubChem CID:	124766477
Reduced:	ClO3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	470.00275
ΔH_f, kcal/mol:	58.76
Dipole, Da:	3.62
IP(EA), eV:	-9.46(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7R,8S,9S)-8,9-dibromo-4-[4-(diethylamino)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)N=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations