Geometry & MOs

Info

ID:	257829
PubChem CID:	103148740
Reduced:	O2F3N3C13H20 (1)
Stoich.:	A2B3C3D13E20 (1)
Weight, g/mol:	309.13742
ΔH_f, kcal/mol:	-219.89
Dipole, Da:	5.55
IP(EA), eV:	-9.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=NC=CN=C1OC

DOS

IR

Vibrations