Geometry & MOs

Info

ID:	89798
PubChem CID:	49964700
Reduced:	ClN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	5.33
IP(EA), eV:	-9.5(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(4-ethoxyphenyl)-3-(4-methylphenyl)-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)Cl)C4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations