Geometry & MOs

Info

ID:	448888
PubChem CID:	135294311
Reduced:	IC5H5N6 (1)
Stoich.:	AB5C5D6 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	84.8
Dipole, Da:	0.99
IP(EA), eV:	-8.65(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(1S)-1-(5-cyanothiophen-2-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1I)N)N

DOS

IR

Vibrations