Geometry & MOs

Info

ID:	397040
PubChem CID:	135029638
Reduced:	N3O3H17C23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	413.137556
ΔH_f, kcal/mol:	5.11
Dipole, Da:	5.3
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations