Geometry & MOs

Info

ID:	229497
PubChem CID:	87567853
Reduced:	NTiH22C30 (1)
Stoich.:	ABC22D30 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	107.2
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.556973
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yldodecane-1,3-dione

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C(=CC=C3)C4=C(C5=CC=CC=C5C=C4)C[N-]C6=CC=CC=C6.[Ti]

DOS

IR

Vibrations