Geometry & MOs

Info

ID:	61989
PubChem CID:	26716660
Reduced:	ClNO5H18C23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	343.121986
ΔH_f, kcal/mol:	-127.64
Dipole, Da:	1.6
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-fluoro-5-methylphenyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl)OC1

DOS

IR

Vibrations