Geometry & MOs

Info

ID:	253957
PubChem CID:	103121828
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	71.35
Dipole, Da:	2.97
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(2-ethyl-2-hydroxybutyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=NOC(=N1)C2=NN(C3=CC=CC=C32)C)N

DOS

IR

Vibrations