Geometry & MOs

Info

ID:	170675
PubChem CID:	75266784
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromofuran-2-yl)-N-[(6-methoxypyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations