Geometry & MOs

Info

ID:	153391
PubChem CID:	56312579
Reduced:	FO4N5H20C26 (1)
Stoich.:	AB4C5D20E26 (1)
Weight, g/mol:	442.144119
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	8.38
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)C#N)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations