Geometry & MOs

Info

ID:	275464
PubChem CID:	103816199
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	5.3
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC2=CN=C(C=C2)Br)OC

DOS

IR

Vibrations