Geometry & MOs

Info

ID:	142074
PubChem CID:	52976653
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	3.05
IP(EA), eV:	-8.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2C(=O)NNC(=O)C3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations