Geometry & MOs

Info

ID:	276741
PubChem CID:	103824857
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	224.05211
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	4.13
IP(EA), eV:	-9.77(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)C2=NC=NN2)C

DOS

IR

Vibrations