Geometry & MOs

Info

ID:	402919
PubChem CID:	135057880
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	307.148476
ΔH_f, kcal/mol:	11.33
Dipole, Da:	4.39
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1OCC2=CN(N=N2)C=CC3=CC=CC=C3

DOS

IR

Vibrations