Geometry & MOs

Info

ID:	430736
PubChem CID:	135170803
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-143.81
Dipole, Da:	4.45
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(C2=CC=CC=C2)C(F)(F)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations