Geometry & MOs

Info

ID:	260919
PubChem CID:	103209539
Reduced:	ClIO2N3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	310.186813
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	1.99
IP(EA), eV:	-9.21(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CNC(=O)C1CNCCN1C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations