Geometry & MOs

Info

ID:	144755
PubChem CID:	53408342
Reduced:	Br2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	256.93554
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	2.87
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-chloroquinazolin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=CC(=C2)Br)Br)OC1

DOS

IR

Vibrations