Geometry & MOs

Info

ID:	167153
PubChem CID:	74788157
Reduced:	NH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	219.019939
ΔH_f, kcal/mol:	76.18
Dipole, Da:	2.66
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-chloropyrrolo[2,3-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CC1=C2C(=CN=C1)C=CC=N2

DOS

IR

Vibrations