Geometry & MOs

Info

ID:	168020
PubChem CID:	74913621
Reduced:	ClN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	482.16085
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	2.36
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations