Geometry & MOs

Info

ID:	361220
PubChem CID:	127302175
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	6.32
IP(EA), eV:	-8.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations