Geometry & MOs

Info

ID:	286872
PubChem CID:	104223316
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	19.38
Dipole, Da:	3.53
IP(EA), eV:	-8.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(N=C1)OC2=CC=CC=C2SC

DOS

IR

Vibrations