Geometry & MOs

Info

ID:	248679
PubChem CID:	103083555
Reduced:	BrION2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	357.98724
ΔH_f, kcal/mol:	22.2
Dipole, Da:	2.73
IP(EA), eV:	-9.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-chloro-6-phenylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C(=O)N2)I

DOS

IR

Vibrations