Geometry & MOs

Info

ID:	61608
PubChem CID:	26710913
Reduced:	ON2F3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	324.102941
ΔH_f, kcal/mol:	-133.94
Dipole, Da:	4.26
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations