Geometry & MOs

Info

ID:	431223
PubChem CID:	135171293
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-88.25
Dipole, Da:	4.27
IP(EA), eV:	-9.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=CC(=C2)C#N)C3=NC(=C(C=C3)C(=O)O)F

DOS

IR

Vibrations