Geometry & MOs

Info

ID:	425566
PubChem CID:	135126736
Reduced:	FN3O4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-168.74
Dipole, Da:	6.48
IP(EA), eV:	-8.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[2-(3-nitrophenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=CNC2=CC=CC(=C2)CN3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O1)C

DOS

IR

Vibrations