Geometry & MOs

Info

ID:	168023
PubChem CID:	74913666
Reduced:	ClNO3C25H26 (1)
Stoich.:	ABC3D25E26 (1)
Weight, g/mol:	453.09396
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	2.92
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-bromophenyl)-6-methoxy-1-benzofuran-5-yl]-1-piperidin-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations