Geometry & MOs

Info

ID:	63409
PubChem CID:	26758263
Reduced:	FNO3H8C10 (2)
Stoich.:	ABC3D8E10 (2)
Weight, g/mol:	416.161518
ΔH_f, kcal/mol:	-291.82
Dipole, Da:	5.59
IP(EA), eV:	-9.36(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations