Geometry & MOs

Info

ID:	89879
PubChem CID:	49965140
Reduced:	BrN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-51.2
Dipole, Da:	7.22
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(4-ethoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(NN=C2C1=O)C3=CC=CO3)C4=CC(=CC=C4)Br)OC

DOS

IR

Vibrations