Geometry & MOs

Info

ID:	253500
PubChem CID:	103118811
Reduced:	F2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	13.1
Dipole, Da:	2.1
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-hydroxy-2-phenylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NN(C(=C2C3=CC(=CC(=C3)F)F)N)C

DOS

IR

Vibrations