Geometry & MOs

Info

ID:	298945
PubChem CID:	117664421
Reduced:	ON4H22C23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	345.18277
ΔH_f, kcal/mol:	58.01
Dipole, Da:	5.1
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-N-[2-(2,3,4,5-tetrahydropyridin-3-ylmethyl)cyclopenta[c]pyrrol-2-ium-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)OC2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations