Geometry & MOs

Info

ID:	248702
PubChem CID:	103083758
Reduced:	BrN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	32.76
Dipole, Da:	5.99
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1C)C)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations