Geometry & MOs

Info

ID:	408018
PubChem CID:	135080773
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	18.04
Dipole, Da:	3.39
IP(EA), eV:	-9.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=C)CN1C2CC(C1=O)C=C2

DOS

IR

Vibrations