Geometry & MOs

Info

ID:	183623
PubChem CID:	77045849
Reduced:	OSN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	52.94
Dipole, Da:	1.89
IP(EA), eV:	-9.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C=CC2=CC=CS2

DOS

IR

Vibrations