Geometry & MOs

Info

ID:	442577
PubChem CID:	135253081
Reduced:	ClON3H24C25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	430.132717
ΔH_f, kcal/mol:	23.28
Dipole, Da:	5.43
IP(EA), eV:	-8.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations