Geometry & MOs

Info

ID:	306871
PubChem CID:	125264136
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	58.55
Dipole, Da:	4.77
IP(EA), eV:	-9.03(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,7aR)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CN(C[C@H]2[C@@H]1N([C@@H](C2)CN3C=NC=N3)CC4CC4)CC5=CC=CO5

DOS

IR

Vibrations