Geometry & MOs

Info

ID:	216437
PubChem CID:	85086240
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	267.98474
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	0.82
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-methoxy-2-methyl-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=NOCC1CNCCO1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations