Geometry & MOs

Info

ID:	84338
PubChem CID:	49865914
Reduced:	NO3C38H57 (1)
Stoich.:	AB3C38D57 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	1.82
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NCCC6=CC=C(C=C6)O)C)C(=O)O

DOS

IR

Vibrations