Geometry & MOs

Info

ID:	47881
PubChem CID:	10535727
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	191.103597
ΔH_f, kcal/mol:	13.78
Dipole, Da:	6.51
IP(EA), eV:	-9.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyloxan-2-(17O)one

Drug info:

PubChemData

Smile

CN(C1=CN=CC=C1)C(=O)[C@@H]2CCN2

DOS

IR

Vibrations