Geometry & MOs

Info

ID:	253427
PubChem CID:	103118370
Reduced:	BrFON3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	1.72
Dipole, Da:	8.42
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations