Geometry & MOs

Info

ID:	251626
PubChem CID:	103105467
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	278.117904
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	3.63
IP(EA), eV:	-9.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations