Geometry & MOs

Info

ID:	197130
PubChem CID:	78927145
Reduced:	NS2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	276.144948
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	4.07
IP(EA), eV:	-8.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-ethyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)OC)C(=O)C1=CC2=C(S1)C=CS2

DOS

IR

Vibrations