Geometry & MOs

Info

ID:	60015
PubChem CID:	26664623
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-113.54
Dipole, Da:	8.34
IP(EA), eV:	-8.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethoxyphenyl)-N-(2-fluoro-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations