Geometry & MOs

Info

ID:	132378
PubChem CID:	51351489
Reduced:	ON2F4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-167.33
Dipole, Da:	2.94
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hexyltriazol-1-yl)-2-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

C1CNC/C(=N/OCC2=CC=C(C=C2)F)/C1C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations