Geometry & MOs

Info

ID:	193459
PubChem CID:	78397912
Reduced:	F3N3O3H18C19 (1)
Stoich.:	A3B3C3D18E19 (1)
Weight, g/mol:	483.111647
ΔH_f, kcal/mol:	-221.34
Dipole, Da:	10.05
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-4-(3,5-dimethoxyphenyl)-3-methyl-4,4a,6,7-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=CC=C3C(F)(F)F)N2

DOS

IR

Vibrations