Geometry & MOs

Info

ID:	168049
PubChem CID:	74916971
Reduced:	NCl2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	451.191421
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	4.55
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-6-ethoxy-1-benzofuran-5-yl]-N-cycloheptylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)Cl)C(=CC(=O)NC4=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations