Geometry & MOs

Info

ID:	248682
PubChem CID:	103083598
Reduced:	ClBr2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	463.91519
ΔH_f, kcal/mol:	37.03
Dipole, Da:	3.59
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(C(=N2)Cl)Br)CC(C)C

DOS

IR

Vibrations