Geometry & MOs

Info

ID:	286874
PubChem CID:	104223324
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	27.81
Dipole, Da:	3.02
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[2-(4-methylsulfanylphenoxy)pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations