Geometry & MOs

Info

ID:	145593
PubChem CID:	53552062
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	324.138639
ΔH_f, kcal/mol:	41.97
Dipole, Da:	2.44
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(C2)CNC3=C(C=CC=N3)C#N

DOS

IR

Vibrations