Geometry & MOs

Info

ID:	89792
PubChem CID:	49964608
Reduced:	F2N3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	414.099791
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	1.88
IP(EA), eV:	-9.27(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3-(4-nitrophenyl)-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC=C(C=C3)F)C4=CC=CC=C4F)OC

DOS

IR

Vibrations