Geometry & MOs

Info

ID:	153567
PubChem CID:	56312816
Reduced:	N2O2F4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	482.18287
ΔH_f, kcal/mol:	-182.24
Dipole, Da:	6.44
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations