Geometry & MOs

Info

ID:	442590
PubChem CID:	135253186
Reduced:	ClON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	327.11384
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	5.64
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-ethyl-1-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(C)C)C

DOS

IR

Vibrations