Geometry & MOs

Info

ID:	67822
PubChem CID:	46507243
Reduced:	O2F3N5C14H14 (1)
Stoich.:	A2B3C5D14E14 (1)
Weight, g/mol:	291.113153
ΔH_f, kcal/mol:	-155.86
Dipole, Da:	5.41
IP(EA), eV:	-9.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1E)-N-[5-carbamoyl-3-[(4-fluorophenyl)methyl]triazol-4-yl]methanimidate

Drug info:

PubChemData

Smile

CCO/C=N/C1=C(N=NN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)N

DOS

IR

Vibrations