Geometry & MOs

Info

ID:	89952
PubChem CID:	49965584
Reduced:	FSN3O3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	6.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(NN=C3C(=O)N2CC(OC)OC)C4=CC=CS4.[F-]

DOS

IR

Vibrations