Geometry & MOs

Info

ID:	154511
PubChem CID:	56313967
Reduced:	F3O3N4C18H21 (1)
Stoich.:	A3B3C4D18E21 (1)
Weight, g/mol:	421.143784
ΔH_f, kcal/mol:	-225.08
Dipole, Da:	5.17
IP(EA), eV:	-9.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3)C(F)(F)F

DOS

IR

Vibrations