Geometry & MOs

Info

ID:	381163
PubChem CID:	134971814
Reduced:	O6C11H14 (1)
Stoich.:	A6B11C14 (1)
Weight, g/mol:	191.082053
ΔH_f, kcal/mol:	-170.75
Dipole, Da:	1.65
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-4-methyl-5-phenyl-5,6-dihydro-1,3,4-oxadiazin-4-ium-2-one

Drug info:

PubChemData

Smile

CC1(OC2[C@H]3C=C([C@@H](C2O1)OO3)C(=O)OC)C

DOS

IR

Vibrations