Geometry & MOs

Info

ID:	255123
PubChem CID:	103130135
Reduced:	ClFON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	283.99605
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	4.58
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CC=C2Cl)F)O

DOS

IR

Vibrations