Geometry & MOs

Info

ID:	163384
PubChem CID:	57911741
Reduced:	ClF2N4H5C11 (1)
Stoich.:	AB2C4D5E11 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	18.91
Dipole, Da:	2.26
IP(EA), eV:	-9.79(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,7E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4,8,12-trimethyltrideca-3,7,11-trienamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C2=CN3C(=NC=N3)C(=N2)Cl

DOS

IR

Vibrations