Geometry & MOs

Info

ID:	383371
PubChem CID:	134975058
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	1.21
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(5S)-7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CNCC2)C3=CC=CC=C3

DOS

IR

Vibrations