Geometry & MOs

Info

ID:	68304
PubChem CID:	46508150
Reduced:	NF2O6C16H17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	419.166748
ΔH_f, kcal/mol:	-344.03
Dipole, Da:	5.5
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)O

DOS

IR

Vibrations