Geometry & MOs

Info

ID:	154292
PubChem CID:	56313705
Reduced:	FO2N4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	3.12
Dipole, Da:	5.1
IP(EA), eV:	-8.98(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations