Geometry & MOs

Info

ID:	256208
PubChem CID:	103137746
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	93.31
Dipole, Da:	6.87
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC2=C1C=NC=C2)C3=C(N=NS3)C

DOS

IR

Vibrations