Geometry & MOs

Info

ID:	378797
PubChem CID:	134224897
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	28.36
Dipole, Da:	5.01
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-ethoxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCS(=O)N1CC(C1)(CC(=O)N)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations