Geometry & MOs

Info

ID:	397039
PubChem CID:	135029637
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	383.126991
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	4.38
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-(4-oxochromen-3-yl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

CON1C(=O)C2=C(C13CCCCC3)C=C4CCCCC4=C2

DOS

IR

Vibrations