Geometry & MOs

Info

ID:	393431
PubChem CID:	135020564
Reduced:	ClN2O5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	368.100836
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	7.52
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=CC(=C1C2=NC(=O)C3=CC=CC=C3N2)OC(=O)C)Cl

DOS

IR

Vibrations