Geometry & MOs

Info

ID:	342066
PubChem CID:	127264779
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	293.077596
ΔH_f, kcal/mol:	79.74
Dipole, Da:	3.87
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[3-(2-pyrimidin-4-ylethenyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)C=CC3=NC=NC=C3

DOS

IR

Vibrations