Geometry & MOs

Info

ID:	248721
PubChem CID:	103083932
Reduced:	BrN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	333.08406
ΔH_f, kcal/mol:	77.94
Dipole, Da:	3.51
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=CC(=N2)CNC3CC3

DOS

IR

Vibrations