Geometry & MOs

Info

ID:	286886
PubChem CID:	104223395
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	353.0539
ΔH_f, kcal/mol:	-31.83
Dipole, Da:	3.98
IP(EA), eV:	-9.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-3-fluorophenoxy)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)OC2=NC=C(C=N2)CNCC(C)C

DOS

IR

Vibrations