Geometry & MOs

Info

ID:	13734
PubChem CID:	397292
Reduced:	OSN3C6H7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	169.030983
ΔH_f, kcal/mol:	11.84
Dipole, Da:	6.1
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=NN2CCC(=O)N=C2S1

DOS

IR

Vibrations