Geometry & MOs

Info

ID:	430866
PubChem CID:	135170933
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	2.99
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations