Geometry & MOs

Info

ID:	288104
PubChem CID:	104311283
Reduced:	BrION3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	450.89478
ΔH_f, kcal/mol:	26.95
Dipole, Da:	8.23
IP(EA), eV:	-8.62(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N=C(N1)C2=C(C=CC=N2)Br)I

DOS

IR

Vibrations