Geometry & MOs

Info

ID:	252707
PubChem CID:	103113460
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	5.98
IP(EA), eV:	-8.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2-methyl-3-nitrophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=NC2=C1C=CC(=C2)N)C

DOS

IR

Vibrations