Geometry & MOs

Info

ID:	28744
PubChem CID:	829329
Reduced:	SN5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	302.159455
ΔH_f, kcal/mol:	131.67
Dipole, Da:	4.67
IP(EA), eV:	-8.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[(3-fluorophenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2N=C(C)C3=CC=NC=C3

DOS

IR

Vibrations