Geometry & MOs

Info

ID:	175547
PubChem CID:	75919892
Reduced:	ClO2F3N3H15C21 (1)
Stoich.:	AB2C3D3E15F21 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	2.75
IP(EA), eV:	-8.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC=CC=N2)NC(=O)C=CC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations