Geometry & MOs

Info

ID:	364220
PubChem CID:	127314524
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	8.62
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2C1)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)O

DOS

IR

Vibrations