Geometry & MOs

Info

ID:	56408
PubChem CID:	17425351
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	7.46
Dipole, Da:	6.36
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-nitrophenyl)piperazin-1-yl]-N-quinolin-5-ylacetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations