Geometry & MOs

Info

ID:	257809
PubChem CID:	103148672
Reduced:	NOSF3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	223.118399
ΔH_f, kcal/mol:	-198.89
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=C(C=CS1)C

DOS

IR

Vibrations