Geometry & MOs

Info

ID:	361179
PubChem CID:	127302123
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	5.73
IP(EA), eV:	-8.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations