Geometry & MOs

Info

ID:	251544
PubChem CID:	103104780
Reduced:	FNOC4H6 (3)
Stoich.:	ABCD4E6 (3)
Weight, g/mol:	292.133554
ΔH_f, kcal/mol:	-251.14
Dipole, Da:	5.06
IP(EA), eV:	-10.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-aminophenyl)-1-(3-fluoropropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(C)(C)OC)C(F)(F)F

DOS

IR

Vibrations