Geometry & MOs

Info

ID:	253927
PubChem CID:	103121599
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	254.062675
ΔH_f, kcal/mol:	-12.43
Dipole, Da:	5.97
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=C3C=CC=CN3N=C2)/C(=N\O)/N

DOS

IR

Vibrations