Geometry & MOs

Info

ID:	202760
PubChem CID:	79721872
Reduced:	BrFNOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	261.116507
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	2.88
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoropyridin-2-yl)-(4-propan-2-yloxyphenyl)methanol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)C(=O)CC2=CC(=CS2)Br

DOS

IR

Vibrations