Geometry & MOs

Info

ID:	336521
PubChem CID:	127255528
Reduced:	BrClNSO2C8H9 (1)
Stoich.:	ABCDE2F8G9 (1)
Weight, g/mol:	297.95085
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	2.68
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(bromomethyl)phenoxy]-6-chloropyrimidine

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1)CBr)Cl

DOS

IR

Vibrations