Geometry & MOs

Info

ID:	289314
PubChem CID:	104344913
Reduced:	OSN5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	323.085911
ΔH_f, kcal/mol:	25.1
Dipole, Da:	5.82
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)sulfanyl-2-(methoxymethyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)SC2=NC=CN2C

DOS

IR

Vibrations