Geometry & MOs

Info

ID:	89800
PubChem CID:	49964727
Reduced:	ClN3O5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	441.0688
ΔH_f, kcal/mol:	-115.22
Dipole, Da:	0.74
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-5-(2,2-dimethoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations