Geometry & MOs

Info

ID:	223531
PubChem CID:	85335189
Reduced:	OCl2N7H13C18 (1)
Stoich.:	AB2C7D13E18 (1)
Weight, g/mol:	424.106848
ΔH_f, kcal/mol:	115.56
Dipole, Da:	4.3
IP(EA), eV:	-9.32(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC(=O)N=N4

DOS

IR

Vibrations