Geometry & MOs

Info

ID:	287037
PubChem CID:	104231716
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	344.00217
ΔH_f, kcal/mol:	-186.14
Dipole, Da:	6.51
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-iodopyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=C(C=N2)C(F)(F)F)O

DOS

IR

Vibrations