Geometry & MOs

Info

ID:	311993
PubChem CID:	126600674
Reduced:	ClFO2N5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	7.56
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,11-dioxa-10-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-trien-6-one

Drug info:

PubChemData

Smile

C1CN(CCC1F)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NN=CC=C4.Cl

DOS

IR

Vibrations