Geometry & MOs

Info

ID:	203253
PubChem CID:	79800218
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	6.26
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1-methoxy-1-oxopropan-2-yl)oxypyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1CCCC(C1)OC2=CN=C(C=C2)CBr

DOS

IR

Vibrations