Geometry & MOs

Info

ID:	307301
PubChem CID:	125299525
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	312.07933
ΔH_f, kcal/mol:	4.75
Dipole, Da:	5.05
IP(EA), eV:	-8.86(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-4H-pyrazol-3-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2[C@](C1=O)(C3=C4C=CC=CC4=N[C@H]3C)O

DOS

IR

Vibrations