Geometry & MOs

Info

ID:	393404
PubChem CID:	135020464
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	5.03
IP(EA), eV:	-9.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-5-methyl-2-(4-oxo-1H-quinazolin-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=C(OC(=N1)N2C=CN=C2)OC

DOS

IR

Vibrations