Geometry & MOs

Info

ID:	231324
PubChem CID:	87573477
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	242.066697
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	6.98
IP(EA), eV:	-7.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-cyanophenyl)ethyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC(=O)OCCCCS1=C2C=CC=CC2=NC1

DOS

IR

Vibrations