Geometry & MOs

Info

ID:	242235
PubChem CID:	96079730
Reduced:	ClFON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	240.046569
ΔH_f, kcal/mol:	-33.76
Dipole, Da:	1.87
IP(EA), eV:	-9.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(4-chloro-2-methylpyrazol-3-yl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)[C@@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations