Geometry & MOs

Info

ID:	425567
PubChem CID:	135126739
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	41.15
Dipole, Da:	3.76
IP(EA), eV:	-8.83(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methoxy-5-nitrophenyl)methyl]-4-(4-methylphenyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

DOS

IR

Vibrations