Geometry & MOs

Info

ID:	268277
PubChem CID:	103598691
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	335.072449
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	3.85
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)C(=O)C=CC4=CN=CC=C4

DOS

IR

Vibrations