Geometry & MOs

Info

ID:	52074
PubChem CID:	12014857
Reduced:	PN3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	408.075548
ΔH_f, kcal/mol:	49.89
Dipole, Da:	2.53
IP(EA), eV:	-7.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-7-yl)naphthalen-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1C[C@H]2CN([P@](N2C1)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations