Geometry & MOs

Info

ID:	333946
PubChem CID:	127252498
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	297.195346
ΔH_f, kcal/mol:	6.39
Dipole, Da:	2.46
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,6aS)-2-[(1-methylimidazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C[C@H]2CCC[C@H]3[C@@H]2CN(C3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations