Geometry & MOs

Info

ID:	7543
PubChem CID:	73333
Reduced:	OF2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	401.227869
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	3.71
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations