Geometry & MOs

Info

ID:	254018
PubChem CID:	103122224
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	10.85
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(oxan-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)/C=C/C(=O)O)F

DOS

IR

Vibrations