Geometry & MOs

Info

ID:	124933
PubChem CID:	50904665
Reduced:	NO2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	303.165686
ΔH_f, kcal/mol:	3.04
Dipole, Da:	2.47
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations