Geometry & MOs

Info

ID:	425569
PubChem CID:	135126742
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	2.6
IP(EA), eV:	-8.28(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-4-[(3-nitrophenyl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCN(CC2)CCC3=CC(=CC=C3)N

DOS

IR

Vibrations