Geometry & MOs

Info

ID:	361181
PubChem CID:	127302125
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	10.38
Dipole, Da:	6.71
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCCC3=NN=C4N3CCCCC4

DOS

IR

Vibrations