Geometry & MOs

Info

ID:	251914
PubChem CID:	103107816
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	306.053509
ΔH_f, kcal/mol:	1.96
Dipole, Da:	4.53
IP(EA), eV:	-9.07(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CN(N=N1)C

DOS

IR

Vibrations