Geometry & MOs

Info

ID:	307595
PubChem CID:	125307665
Reduced:	Cl2N2O3H20C24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-9.34
Dipole, Da:	3.72
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S)-7,7-dimethyl-2-phenyl-4-(4-propan-2-ylphenyl)-3a,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=C(N=N1)C2=C(C=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)O)C4=CC=CC=C4OC

DOS

IR

Vibrations