Geometry & MOs

Info

ID:	431189
PubChem CID:	135171259
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	28.29
Dipole, Da:	4.48
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CN=CN=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations