Geometry & MOs

Info

ID:	407852
PubChem CID:	135080607
Reduced:	N2Cl3H5C8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	33.28
Dipole, Da:	5.99
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(cyanomethyl)pyrrolo[2,3-c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C(=C1Cl)Cl)C(=NC=C2)Cl

DOS

IR

Vibrations