Geometry & MOs

Info

ID:	292310
PubChem CID:	114916525
Reduced:	SN4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	49.21
Dipole, Da:	7.21
IP(EA), eV:	-8.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1N)C2=NN=CN2CC(C)C

DOS

IR

Vibrations