Geometry & MOs

Info

ID:	255124
PubChem CID:	103130145
Reduced:	BrFON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	5.74
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations