Geometry & MOs

Info

ID:	326305
PubChem CID:	126687302
Reduced:	ClFON6C21H26 (1)
Stoich.:	ABCD6E21F26 (1)
Weight, g/mol:	357.197176
ΔH_f, kcal/mol:	-32.61
Dipole, Da:	4.42
IP(EA), eV:	-8.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,7E,9Z)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyltrideca-2,7,9-trien-7-amine

Drug info:

PubChemData

Smile

CCNC(=O)CC1CCCC(C1)NC2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl

DOS

IR

Vibrations