Geometry & MOs

Info

ID:	128672
PubChem CID:	51053756
Reduced:	BrN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	9.51
IP(EA), eV:	-9.13(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(3-methoxy-4-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations