Geometry & MOs

Info

ID:	61607
PubChem CID:	26710911
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	358.129298
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	2.55
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations