Geometry & MOs

Info

ID:	430743
PubChem CID:	135170810
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	417.227709
ΔH_f, kcal/mol:	22.91
Dipole, Da:	3.79
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-azidophenyl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC2(CC2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations