Geometry & MOs

Info

ID:	137702
PubChem CID:	52246603
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	306.174356
ΔH_f, kcal/mol:	10.02
Dipole, Da:	3.79
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC)C(=O)NCC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations