Geometry & MOs

Info

ID:	123295
PubChem CID:	50840905
Reduced:	ClN4O4H15C20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	471.190654
ΔH_f, kcal/mol:	14.31
Dipole, Da:	7.06
IP(EA), eV:	-8.85(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-4-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations