Geometry & MOs

Info

ID:	154344
PubChem CID:	56313760
Reduced:	O2F3N5C21H26 (1)
Stoich.:	A2B3C5D21E26 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-202.76
Dipole, Da:	6.49
IP(EA), eV:	-8.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-propylamino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)NC(=O)N3CCCCCC3)C(F)(F)F

DOS

IR

Vibrations