Geometry & MOs

Info

ID:	1764
PubChem CID:	5012
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	46.64
Dipole, Da:	7.34
IP(EA), eV:	-9.0(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-piperazin-1-ylquinoline

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations