Geometry & MOs

Info

ID:	168083
PubChem CID:	74922096
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	6.42
IP(EA), eV:	-8.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)NC3=CC=CC4=C3C=CC(=N4)C)C

DOS

IR

Vibrations