Geometry & MOs

Info

ID:	142176
PubChem CID:	52995973
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	228.085855
ΔH_f, kcal/mol:	4.7
Dipole, Da:	4.7
IP(EA), eV:	-8.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-3-methyl-1,2,4-triazol-1-yl)methyl]butanedioic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC2=CC=CC=C2C(=N1)NCC3CCCO3

DOS

IR

Vibrations