Geometry & MOs

Info

ID:	131373
PubChem CID:	51198369
Reduced:	ClFN3O3C17H19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	1.47
IP(EA), eV:	-9.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(propylamino)propan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C

DOS

IR

Vibrations