Geometry & MOs

Info

ID:	288155
PubChem CID:	104312132
Reduced:	BrNOF2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	374.94049
ΔH_f, kcal/mol:	-77.09
Dipole, Da:	4.22
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylpyrazol-3-yl)-1-(3-bromopyridin-2-yl)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations