Geometry & MOs

Info

ID:	220801
PubChem CID:	85239986
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	21.78
Dipole, Da:	3.7
IP(EA), eV:	-9.0(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2-methoxy-2-oxoethyl)-3a-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)N(C)C=O

DOS

IR

Vibrations