Geometry & MOs

Info

ID:	208952
PubChem CID:	80607826
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	237.068431
ΔH_f, kcal/mol:	6.94
Dipole, Da:	1.99
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2C(=NC(=CC2=O)C)C

DOS

IR

Vibrations