Geometry & MOs

Info

ID:	89881
PubChem CID:	49965142
Reduced:	FSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	6.56
IP(EA), eV:	-9.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(NN=C2C1=O)C3=CC=CS3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations