Geometry & MOs

Info

ID:	286873
PubChem CID:	104223320
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	16.29
Dipole, Da:	3.92
IP(EA), eV:	-8.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=CC=CC=C2SC

DOS

IR

Vibrations