Geometry & MOs

Info

ID:	89885
PubChem CID:	49965191
Reduced:	NO2C8H9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	7.55
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations