Geometry & MOs

Info

ID:	141963
PubChem CID:	52959545
Reduced:	ClSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	7.81
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxy-N-(1-propyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydropyrazolo[3,4-b]quinolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)/C=C(/C(=O)[O-])\SC2=NN=C([NH2+]2)C

DOS

IR

Vibrations