Geometry & MOs

Info

ID:	89794
PubChem CID:	49964615
Reduced:	NO2C8H9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	8.15
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)CC(OC)OC)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations