Geometry & MOs

Info

ID:	430729
PubChem CID:	135170796
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	4.44
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations