Geometry & MOs

Info

ID:	396472
PubChem CID:	135028517
Reduced:	IN2O3H5C7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	283.193614
ΔH_f, kcal/mol:	-1.96
Dipole, Da:	3.17
IP(EA), eV:	-9.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R,8S,9R)-3-benzyl-6-methyl-3-azatricyclo[6.2.2.04,9]dodecan-11-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])I)NC=O

DOS

IR

Vibrations