Geometry & MOs

Info

ID:	73850
PubChem CID:	48420700
Reduced:	N2O3H16C22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	2.09
Dipole, Da:	2.09
IP(EA), eV:	-9.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)C4=CN=CO4

DOS

IR

Vibrations