Geometry & MOs

Info

ID:	182132
PubChem CID:	76851270
Reduced:	FON2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	340.078325
ΔH_f, kcal/mol:	6.2
Dipole, Da:	5.88
IP(EA), eV:	-9.92(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)C(=N2)F)C=C1

DOS

IR

Vibrations