Geometry & MOs

Info

ID:	66022
PubChem CID:	46488150
Reduced:	FN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	2.85
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetyl-2-methoxyphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations