Geometry & MOs

Info

ID:	153749
PubChem CID:	56313060
Reduced:	OF3N4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	487.165582
ΔH_f, kcal/mol:	-197.31
Dipole, Da:	3.14
IP(EA), eV:	-8.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations