Geometry & MOs

Info

ID:	277599
PubChem CID:	103829776
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	264.102254
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	5.13
IP(EA), eV:	-9.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-hydroxybenzamide

Drug info:

PubChemData

Smile

COCCCCNC(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations