Geometry & MOs

Info

ID:	290371
PubChem CID:	104435612
Reduced:	ClN4O4C12H15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	3.02
IP(EA), eV:	-9.68(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-morpholin-4-yl-3-oxopropyl)-9-azabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations