Geometry & MOs

Info

ID:	409968
PubChem CID:	135082755
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	639.057348
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	1.89
IP(EA), eV:	-9.45(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole;toluene;diperchlorate

Drug info:

PubChemData

Smile

C[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)CC3=CC=CC=C3

DOS

IR

Vibrations