Geometry & MOs

Info

ID:	351445
PubChem CID:	127280333
Reduced:	O3N7C17H27 (1)
Stoich.:	A3B7C17D27 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	8.0
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]quinolin-4-one

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C=C(N=N1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations