Geometry & MOs

Info

ID:	253300
PubChem CID:	103117517
Reduced:	N7C12H15 (1)
Stoich.:	A7B12C15 (1)
Weight, g/mol:	302.139033
ΔH_f, kcal/mol:	119.41
Dipole, Da:	5.97
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethyl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1=NN=C(N1CC)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations