Geometry & MOs

Info

ID:	145854
PubChem CID:	53602529
Reduced:	FON6C17H21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	342.088353
ΔH_f, kcal/mol:	12.56
Dipole, Da:	7.55
IP(EA), eV:	-8.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)CNC2=NC(=O)C3=CNN(C3=N2)C)F

DOS

IR

Vibrations