Geometry & MOs

Info

ID:	194116
PubChem CID:	78484616
Reduced:	NO2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	351.105291
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.019545
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(=C)C1CCC(=CC1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

DOS

IR

Vibrations