Geometry & MOs

Info

ID:	431162
PubChem CID:	135171232
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	2.65
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCOC1)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations