Geometry & MOs

Info

ID:	286871
PubChem CID:	104223313
Reduced:	F2O3N4H8C11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	7.7
IP(EA), eV:	-10.18(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)OC2=NC=C(C=N2)CN)F)[N+](=O)[O-]

DOS

IR

Vibrations