Geometry & MOs

Info

ID:	364927
PubChem CID:	127316573
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	8.03
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations