Geometry & MOs

Info

ID:	448905
PubChem CID:	135294418
Reduced:	SO2N6C29H46 (1)
Stoich.:	AB2C6D29E46 (1)
Weight, g/mol:	317.192569
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.23
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-1-thiophen-2-ylpropyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)C(=N)N(C1CC2CCC(C1)N2CCC(C3=CC=C(S3)C(=O)NC)NC(=O)C4CCCCC4)C(=N)C

DOS

IR

Vibrations