Geometry & MOs

Info

ID:	251625
PubChem CID:	103105430
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	5.08
IP(EA), eV:	-10.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-fluorophenyl)-1-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)(C)O)C2=CC=CC=N2

DOS

IR

Vibrations