Geometry & MOs

Info

ID:	196696
PubChem CID:	78866059
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	88.96
Dipole, Da:	10.41
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-[4-(2-phenylethyl)piperazin-1-yl]quinoline

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations