Geometry & MOs

Info

ID:	154943
PubChem CID:	56314499
Reduced:	OF2N2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	473.21147
ΔH_f, kcal/mol:	-258.45
Dipole, Da:	5.16
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F)F

DOS

IR

Vibrations