Geometry & MOs

Info

ID:	183618
PubChem CID:	77045746
Reduced:	ClON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	274.122989
ΔH_f, kcal/mol:	29.54
Dipole, Da:	4.26
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)C=CC2=CC=CC=C2Cl

DOS

IR

Vibrations