Geometry & MOs

Info

ID:	390317
PubChem CID:	134998457
Reduced:	AlLiON2C34H64 (1)
Stoich.:	ABCD2E34F64 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	12.16
IP(EA), eV:	-6.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,6aS)-3-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c][1,2]oxazole

Drug info:

PubChemData

Smile

[Li+].CC(C)C[Al-](CC(C)C)(CC(C)C)N1C(CCCC1(C)C)(C)C.CC(C)N(C(C)C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations