Geometry & MOs

Info

ID:	127659
PubChem CID:	51010497
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	396.111934
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	3.94
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl] N-thiophen-2-yl-N-[(2,3,4-trifluorophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CO[C@]23CCC[C@@H](C2)C4=C(N=C(N=C4N3)N)N

DOS

IR

Vibrations