Geometry & MOs

Info

ID:	83231
PubChem CID:	49857319
Reduced:	F2N2H12C19 (1)
Stoich.:	A2B2C12D19 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	45.86
Dipole, Da:	5.04
IP(EA), eV:	-8.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(phenoxymethyl)-3-(2-pyridin-2-ylethynyl)aniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations