Geometry & MOs

Info

ID:	28746
PubChem CID:	829333
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	1.7
IP(EA), eV:	-8.3(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCN(CC2)CC3=CC=CC=C3OC

DOS

IR

Vibrations