Geometry & MOs

Info

ID:	376717
PubChem CID:	134222742
Reduced:	SN8C39H46 (1)
Stoich.:	AB8C39D46 (1)
Weight, g/mol:	237.24565
ΔH_f, kcal/mol:	152.73
Dipole, Da:	4.19
IP(EA), eV:	-8.03(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-2-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

Drug info:

PubChemData

Smile

CC1=C(C(NN1C2=C(SC(=N2)CCC(C)(C)C3=C4C=CC(=CN4N=C3)C#N)C5=CC(=NC(=N5)C)C(C)(C)C)C(C)(C)C)C6=CC=CC=C6

DOS

IR

Vibrations