Geometry & MOs

Info

ID:	127796
PubChem CID:	51016000
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-242.24
Dipole, Da:	2.7
IP(EA), eV:	-9.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1'R,5'S,7'S)-7'-(3-hydroxypropyl)spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)[C@H]2CCC[C@H](C1=O)N2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations