Geometry & MOs

Info

ID:	253971
PubChem CID:	103121909
Reduced:	ON7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	255.133139
ΔH_f, kcal/mol:	117.86
Dipole, Da:	2.44
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=NOC(=N2)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations