Geometry & MOs

Info

ID:	425731
PubChem CID:	135127662
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	2.62
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-butylpiperazin-1-yl)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1[C@H](CCCN1)COC2=NC=C(C=C2)F

DOS

IR

Vibrations