Geometry & MOs

Info

ID:	286913
PubChem CID:	104223516
Reduced:	BrFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	6.57
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methyl-4-nitrophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations