Geometry & MOs

Info

ID:	225195
PubChem CID:	85747887
Reduced:	NC3H3O5 (1)
Stoich.:	AB3C3D5 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	1.45
IP(EA), eV:	-11.58(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-4-octylpiperazine

Drug info:

PubChemData

Smile

C(=O)C(C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations