Geometry & MOs

Info

ID:	431186
PubChem CID:	135171256
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	26.38
Dipole, Da:	4.59
IP(EA), eV:	-9.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[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=CN2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations