Geometry & MOs

Info

ID:	153652
PubChem CID:	56312937
Reduced:	FN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	461.222703
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	4.68
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations