Geometry & MOs

Info

ID:	184954
PubChem CID:	77234550
Reduced:	ON3Cl4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	4.46
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dioxo-5-prop-2-enyl-4aH-quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCCCC1C(C2=CC=CC=C2)NC(=O)C3=CC(C(C(C3)(Cl)Cl)N)(Cl)Cl

DOS

IR

Vibrations