Geometry & MOs

Info

ID:	180333
PubChem CID:	76616878
Reduced:	ClF3O6N8C43H58 (1)
Stoich.:	AB3C6D8E43F58 (1)
Weight, g/mol:	331.093247
ΔH_f, kcal/mol:	-407.71
Dipole, Da:	2.1
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC(=O)CN2CCC(CC2)N3CCN(CC3)C(=O)C(CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O

DOS

IR

Vibrations