Geometry & MOs

Info

ID:	196288
PubChem CID:	78805193
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	308.113648
ΔH_f, kcal/mol:	-10.12
Dipole, Da:	5.41
IP(EA), eV:	-9.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-cyanocyclopentyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)CCC2=CC(=CC=C2)Br

DOS

IR

Vibrations