Geometry & MOs

Info

ID:	23399
PubChem CID:	603361
Reduced:	ClON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	218.02469
ΔH_f, kcal/mol:	34.51
Dipole, Da:	2.78
IP(EA), eV:	-9.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)Cl)OC3=CC=CC=C32

DOS

IR

Vibrations