Geometry & MOs

Info

ID:	286902
PubChem CID:	104223436
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	339.03825
ΔH_f, kcal/mol:	41.04
Dipole, Da:	4.53
IP(EA), eV:	-9.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-bromo-5-fluorophenoxy)pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=NC=C(C=N2)CNC

DOS

IR

Vibrations