Geometry & MOs

Info

ID:	195906
PubChem CID:	78747457
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	6.85
IP(EA), eV:	-9.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N)C

DOS

IR

Vibrations