Geometry & MOs

Info

ID:	242224
PubChem CID:	96079690
Reduced:	FON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	221.09644
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	6.89
IP(EA), eV:	-9.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2[C@H](C3=CC=CC=C3F)O)CN1

DOS

IR

Vibrations