Geometry & MOs

Info

ID:	351588
PubChem CID:	127280480
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-112.45
Dipole, Da:	9.46
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations