Geometry & MOs

Info

ID:	172385
PubChem CID:	75502009
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	3.84
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CCC(=O)NC3=C4C(=CC=C3)OCO4)OC1

DOS

IR

Vibrations