Geometry & MOs

Info

ID:	138131
PubChem CID:	52316844
Reduced:	N2F3O4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	278.136548
ΔH_f, kcal/mol:	-252.19
Dipole, Da:	7.24
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methyl-5-nitroimidazol-4-yl)-[3-(pyrimidin-2-ylamino)propyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)OCC(=O)NC3CC3

DOS

IR

Vibrations