Geometry & MOs

Info

ID:	361217
PubChem CID:	127302172
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	6.45
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC3C4CCCC4

DOS

IR

Vibrations