Geometry & MOs

Info

ID:	253989
PubChem CID:	103122016
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	8.74
Dipole, Da:	4.87
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(4-ethylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCC(C)(C1=NOC(=N1)C2=NN(C=C2)C)N

DOS

IR

Vibrations