Geometry & MOs

Info

ID:	153995
PubChem CID:	56313355
Reduced:	N2O3F4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	414.149204
ΔH_f, kcal/mol:	-299.09
Dipole, Da:	2.7
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzylpyrazol-4-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)F)OCC(F)(F)F

DOS

IR

Vibrations