Geometry & MOs

Info

ID:	170672
PubChem CID:	75266680
Reduced:	ON2F3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	281.161366
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.0
IP(EA), eV:	-10.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-6-(3-propan-2-yloxypropylamino)-5H-pyrimidin-1-ium-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)NCC(F)(F)F)C#N

DOS

IR

Vibrations