Geometry & MOs

Info

ID:	288162
PubChem CID:	104312352
Reduced:	BrNOF2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	282.96665
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	3.43
IP(EA), eV:	-10.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-thiophen-2-ylethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(C2=C(C=CC=N2)Br)O)F

DOS

IR

Vibrations