Geometry & MOs

Info

ID:	286864
PubChem CID:	104223297
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	32.0
Dipole, Da:	4.55
IP(EA), eV:	-9.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2=NC=C(C=N2)CNC

DOS

IR

Vibrations