Geometry & MOs

Info

ID:	310293
PubChem CID:	126578114
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	4.82
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(9-hydroxy-3-oxabicyclo[3.3.1]nonan-7-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C2=NC(=CN=N2)C3CCC(CC3)C

DOS

IR

Vibrations