Geometry & MOs

Info

ID:	211368
PubChem CID:	80939281
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	324.08116
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	3.19
IP(EA), eV:	-8.09(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NC2=CC=C(C=C2)OCC)NCC

DOS

IR

Vibrations