Geometry & MOs

Info

ID:	361186
PubChem CID:	127302130
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-5.5
Dipole, Da:	6.87
IP(EA), eV:	-8.3(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations