Geometry & MOs

Info

ID:	397041
PubChem CID:	135029639
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	411.121906
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	8.11
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-2-(4-oxochromen-3-yl)-1,2-dihydroquinazolin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NN2C(NC3=CC=CC=C3C2=O)C4=COC5=CC=CC=C5C4=O

DOS

IR

Vibrations