Geometry & MOs

Info

ID:	223513
PubChem CID:	85335153
Reduced:	BrOSN4C17H21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	5.25
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(C(=O)N2)C3=CSC(=N3)NC4=CN=CC=C4.Br

DOS

IR

Vibrations