Geometry & MOs

Info

ID:	257834
PubChem CID:	103148752
Reduced:	ON2F4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	303.180999
ΔH_f, kcal/mol:	-228.52
Dipole, Da:	3.55
IP(EA), eV:	-9.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=C(C=NC=C1)F

DOS

IR

Vibrations