Geometry & MOs

Info

ID:	69271
PubChem CID:	46530556
Reduced:	BrNF2O3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	419.154429
ΔH_f, kcal/mol:	-244.74
Dipole, Da:	5.44
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC(F)F

DOS

IR

Vibrations