Geometry & MOs

Info

ID:	89882
PubChem CID:	49965146
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	471.07937
ΔH_f, kcal/mol:	-108.05
Dipole, Da:	5.72
IP(EA), eV:	-8.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations