Geometry & MOs

Info

ID:	89805
PubChem CID:	49964757
Reduced:	BrN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	2.57
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(2-fluorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC=C(C=C3)Br)C4=CC(=CC=C4)O)OC

DOS

IR

Vibrations