Geometry & MOs

Info

ID:	302601
PubChem CID:	124385266
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	7.53
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,3S,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CCCC(=O)O

DOS

IR

Vibrations