Geometry & MOs

Info

ID:	408436
PubChem CID:	135081202
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-225.36
Dipole, Da:	3.23
IP(EA), eV:	-10.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

Drug info:

PubChemData

Smile

CC(C=O)C(OC(=O)C)OC(=O)C

DOS

IR

Vibrations