Geometry & MOs

Info

ID:	83230
PubChem CID:	49857316
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	306.096855
ΔH_f, kcal/mol:	68.84
Dipole, Da:	7.28
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=NC4=CC=CC=C4C=C3)CN1C5=NC=C(C=N5)C(=O)NO

DOS

IR

Vibrations