Geometry & MOs

Info

ID:	223512
PubChem CID:	85335152
Reduced:	ClO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	408.06195
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	6.65
IP(EA), eV:	-8.82(-1.33)
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;hydrobromide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)Cl)CC(=O)O

DOS

IR

Vibrations