Geometry & MOs

Info

ID:	153861
PubChem CID:	56313191
Reduced:	F2O3N4H24C26 (1)
Stoich.:	A2B3C4D24E26 (1)
Weight, g/mol:	494.152097
ΔH_f, kcal/mol:	-105.24
Dipole, Da:	4.54
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations