Geometry & MOs

Info

ID:	89803
PubChem CID:	49964741
Reduced:	BrN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	379.05315
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	2.76
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-5-(2,2-dimethoxyethyl)-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)OC

DOS

IR

Vibrations