Geometry & MOs

Info

ID:	51669
PubChem CID:	12014378
Reduced:	NOC31H31 (1)
Stoich.:	ABC31D31 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	56.94
Dipole, Da:	3.32
IP(EA), eV:	-9.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N4C(C4=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations