Geometry & MOs

Info

ID:	362793
PubChem CID:	127309341
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	12.29
Dipole, Da:	3.96
IP(EA), eV:	-9.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCCCC2)CNC(=O)N3CCN4C=NN=C4C3

DOS

IR

Vibrations