Geometry & MOs

Info

ID:	122535
PubChem CID:	50811025
Reduced:	BrN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	467.08445
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	8.95
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)C2CC(=O)N=C3C2=C(NN3C4=CC=C(C=C4)Br)C

DOS

IR

Vibrations