Geometry & MOs

Info

ID:	374001
PubChem CID:	131322194
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	240.03017
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	7.54
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6,7-dimethoxy-8H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)C(=CS2)CC(=O)O

DOS

IR

Vibrations