Geometry & MOs

Info

ID:	361184
PubChem CID:	127302128
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	5.92
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations