Geometry & MOs

Info

ID:	45592
PubChem CID:	10515302
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	1.75
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCCC2=CC=CC=C2)NO

DOS

IR

Vibrations