Geometry & MOs

Info

ID:	322280
PubChem CID:	126669585
Reduced:	NC25H27 (1)
Stoich.:	AB25C27 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	138.89
Dipole, Da:	2.33
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5S,7R)-2-[(1S)-1-hydroxyethyl]-7-methyl-3-azabicyclo[3.3.1]nonan-3-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC=C(C(=C)[C@]23CC3=C4C1CC5=CC=CC(=C5C4=C)C)C(=C)N

DOS

IR

Vibrations