Geometry & MOs

Info

ID:	313272
PubChem CID:	126613219
Reduced:	NOF2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	3.34
IP(EA), eV:	-9.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6S,6aR)-3-(2-pyridin-2-ylethynyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(N)(F)F

DOS

IR

Vibrations