Geometry & MOs

Info

ID:	208091
PubChem CID:	80493853
Reduced:	FNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	5.42
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dioxaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methanamine

Drug info:

PubChemData

Smile

C1C(CO1)NC2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations