Geometry & MOs

Info

ID:	248708
PubChem CID:	103083810
Reduced:	OBr2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	356.92992
ΔH_f, kcal/mol:	15.56
Dipole, Da:	3.61
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-bromo-2-methylphenyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(C(=N2)N)Br)COC

DOS

IR

Vibrations