Geometry & MOs

Info

ID:	172363
PubChem CID:	75498274
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	326.117904
ΔH_f, kcal/mol:	70.28
Dipole, Da:	6.77
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)NCC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations