Geometry & MOs

Info

ID:	442624
PubChem CID:	135253412
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	446.127631
ΔH_f, kcal/mol:	59.67
Dipole, Da:	1.95
IP(EA), eV:	-8.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=CN=CC=C4)C

DOS

IR

Vibrations