Geometry & MOs

Info

ID:	153999
PubChem CID:	56313359
Reduced:	OF3N6C16H17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	-109.05
Dipole, Da:	1.81
IP(EA), eV:	-9.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[6-(diethylamino)pyridin-3-yl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCNC2=C(C=CC=N2)C#N)C(F)(F)F

DOS

IR

Vibrations