Geometry & MOs

Info

ID:	181907
PubChem CID:	76812772
Reduced:	FN3O4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	352.166117
ΔH_f, kcal/mol:	-222.6
Dipole, Da:	3.22
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl 2-[(7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC(C(C)OC)C(=O)N1CCC(C1CC2=CNC3=C2C=CC(=C3)F)O

DOS

IR

Vibrations