Geometry & MOs

Info

ID:	268118
PubChem CID:	103597941
Reduced:	OF3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	4.24
IP(EA), eV:	-10.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC(=O)C=CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations