Geometry & MOs

Info

ID:	243011
PubChem CID:	99215029
Reduced:	FN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	386.176106
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	4.76
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations