Geometry & MOs

Info

ID:	154922
PubChem CID:	56314472
Reduced:	FO2N4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	15.58
Dipole, Da:	5.85
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations