Geometry & MOs

Info

ID:	139510
PubChem CID:	52544415
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-191.51
Dipole, Da:	3.36
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations