Geometry & MOs

Info

ID:	403749
PubChem CID:	135061652
Reduced:	ClSN3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	103.78
Dipole, Da:	2.77
IP(EA), eV:	-8.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations