Geometry & MOs

Info

ID:	126900
PubChem CID:	50983504
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	7.84
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-4-yl)-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1CNCCC2=C1C(=O)N=C(N2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations