Geometry & MOs

Info

ID:	220766
PubChem CID:	85239061
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	3.12
IP(EA), eV:	-8.82(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-ethyl-1-(hydroxymethyl)-6-azabicyclo[3.2.1]octan-5-yl]ethanol

Drug info:

PubChemData

Smile

CC1(C(CCC12OCCO2)C=C)CNC

DOS

IR

Vibrations