Geometry & MOs

Info

ID:	403747
PubChem CID:	135061650
Reduced:	SO2N4H12C16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	44.41
Dipole, Da:	5.51
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-6-chloro-4-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)C4=CNN=C4

DOS

IR

Vibrations