Geometry & MOs

Info

ID:	173413
PubChem CID:	75636910
Reduced:	FO3N6C30H43 (1)
Stoich.:	AB3C6D30E43 (1)
Weight, g/mol:	200.11475
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	7.89
IP(EA), eV:	-9.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-6-morpholin-4-ium-4-ylidene-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)N(CC3CC4CC5C(CC4NC3=O)OCCO5)C6CCCCC6

DOS

IR

Vibrations