Geometry & MOs

Info

ID:	271145
PubChem CID:	103645169
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	238.092912
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	3.97
IP(EA), eV:	-9.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C2=CC=C(O2)Cl)C

DOS

IR

Vibrations