Geometry & MOs

Info

ID:	122534
PubChem CID:	50811024
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	453.0688
ΔH_f, kcal/mol:	4.49
Dipole, Da:	8.68
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-(4-ethoxybenzoyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)C2CC(=O)N=C3C2=C(NN3C4=CC(=C(C=C4)C)C)C

DOS

IR

Vibrations