Geometry & MOs

Info

ID:	253923
PubChem CID:	103121536
Reduced:	ON3C6H10 (2)
Stoich.:	AB3C6D10 (2)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	-9.86
Dipole, Da:	6.39
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[3-(cyclohexylamino)-3-oxopropyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2CCN(CC2)C/C(=N/O)/N

DOS

IR

Vibrations