Geometry & MOs

Info

ID:	357627
PubChem CID:	127294300
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	13.57
Dipole, Da:	4.39
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CSN=N3

DOS

IR

Vibrations