Geometry & MOs

Info

ID:	296711
PubChem CID:	117589535
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	321.107319
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	6.42
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl(2-hydroxyethyl)amino]-2-(4-nitrophenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCO)C1=NN(N=C1C(=O)O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations