Geometry & MOs

Info

ID:	15347
PubChem CID:	438574
Reduced:	F3N5O5C12H15 (1)
Stoich.:	A3B5C5D12E15 (1)
Weight, g/mol:	366.102528
ΔH_f, kcal/mol:	-294.04
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788001
Charge, e:	1

Chem-info

IUPAC name:

[5-[2,4-dioxo-5-(2,2,2-trifluoroethoxymethyl)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)N=[N+]=N

DOS

IR

Vibrations