Geometry & MOs

Info

ID:	211005
PubChem CID:	80882985
Reduced:	SN7C11H13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	306.12628
ΔH_f, kcal/mol:	118.41
Dipole, Da:	6.26
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC1=CN2C=CN=C2C(=N1)SC3=NN=CN3C

DOS

IR

Vibrations