Geometry & MOs

Info

ID:	268213
PubChem CID:	103598423
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	360.128549
ΔH_f, kcal/mol:	8.4
Dipole, Da:	1.93
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=CC(=O)NCC2=CC=C(C=C2)CN3C=CC=CC3=O

DOS

IR

Vibrations