Geometry & MOs

Info

ID:	186380
PubChem CID:	77425947
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	49.39
Dipole, Da:	10.23
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpyridin-2-yl)-8-(5-pyrazolidin-4-yl-2,3-dihydrothiophene-3-carbonyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2CC(CC2N(C1)C(=O)C3CSC(=C3)C4CNNC4)(C#N)C5=CC=CC=N5

DOS

IR

Vibrations