Geometry & MOs

Info

ID:	442617
PubChem CID:	135253403
Reduced:	ClN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	208.040341
ΔH_f, kcal/mol:	24.15
Dipole, Da:	1.73
IP(EA), eV:	-8.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,5-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CN=C2C(=C1Cl)C(=CN2C)C

DOS

IR

Vibrations