Geometry & MOs

Info

ID:	275468
PubChem CID:	103816217
Reduced:	BrN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	0.99
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(1-propan-2-ylpyrazol-3-yl)methoxy]pyridine

Drug info:

PubChemData

Smile

CNC(=O)COC1=CN=C(C=C1)Br

DOS

IR

Vibrations