Geometry & MOs

Info

ID:	89883
PubChem CID:	49965151
Reduced:	BrN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-58.23
Dipole, Da:	3.12
IP(EA), eV:	-8.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations