Geometry & MOs

Info

ID:	268121
PubChem CID:	103597955
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	3.76
IP(EA), eV:	-9.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[(6-propan-2-yloxypyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)CNC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations