Geometry & MOs

Info

ID:	338293
PubChem CID:	127258985
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	3.88
IP(EA), eV:	-9.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S,5R)-1-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C#N)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations