Geometry & MOs

Info

ID:	391044
PubChem CID:	135002433
Reduced:	CrSN2O2H18C19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	74.74
Dipole, Da:	4.7
IP(EA), eV:	-7.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-(2-phenylethyl)-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazol-2-one

Drug info:

PubChemData

Smile

CCOC(=[Cr])C1=C(N2C(=O)CCN2[C@H]1C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations