Geometry & MOs

Info

ID:	148293
PubChem CID:	53787955
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	475.204689
ΔH_f, kcal/mol:	-160.54
Dipole, Da:	4.54
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,4-bis(4-fluorophenyl)butyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=C(C=C(C=C3)C(=O)OC)OC)C

DOS

IR

Vibrations