Geometry & MOs

Info

ID:	168050
PubChem CID:	74916972
Reduced:	ClNO3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	435.220972
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	7.07
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[6-ethoxy-3-(4-fluorophenyl)-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)Cl)C(=CC(=O)NC4CCCCCC4)C

DOS

IR

Vibrations