Geometry & MOs

Info

ID:	253966
PubChem CID:	103121879
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	86.85
Dipole, Da:	5.78
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(oxan-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNCC1=NOC(=N1)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations