Geometry & MOs

Info

ID:	420112
PubChem CID:	135111213
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-224.75
Dipole, Da:	4.05
IP(EA), eV:	-9.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(oxan-2-yl)ethyl]-5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC=C1C(=O)N2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations