Geometry & MOs

Info

ID:	287628
PubChem CID:	104249229
Reduced:	OCl2N2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	323.94318
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	2.04
IP(EA), eV:	-9.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4,6-dichloro-2-(oxan-2-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC(=CC(=N2)Cl)Cl

DOS

IR

Vibrations