Geometry & MOs

Info

ID:	248707
PubChem CID:	103083801
Reduced:	BrIN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	386.94049
ΔH_f, kcal/mol:	59.32
Dipole, Da:	4.08
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-bromo-2-methylphenyl)-6-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C2=C(C=C(C=C2)Br)C)NC)I

DOS

IR

Vibrations