Geometry & MOs

Info

ID:	154422
PubChem CID:	56313857
Reduced:	FO2N3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	416.139702
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	3.04
IP(EA), eV:	-8.43(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)N(C)C3=CC=CC=C3

DOS

IR

Vibrations