Geometry & MOs

Info

ID:	286860
PubChem CID:	104223284
Reduced:	OF2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	3.92
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)OC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations