Geometry & MOs

Info

ID:	279489
PubChem CID:	103844105
Reduced:	BrN2O4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	294.00039
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	4.57
IP(EA), eV:	-9.79(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromopyrimidin-4-yl)oxyphenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCO)OC2=C(C=C(C=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations