Geometry & MOs

Info

ID:	140329
PubChem CID:	52683121
Reduced:	O3H20C22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	3.64
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1-naphthalen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations