Geometry & MOs

Info

ID:	58455
PubChem CID:	24701869
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	224.150033
ΔH_f, kcal/mol:	0.14
Dipole, Da:	6.07
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2C#N

DOS

IR

Vibrations