Geometry & MOs

Info

ID:	253112
PubChem CID:	103116114
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	57.88
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxyethoxy)ethyl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations