Geometry & MOs

Info

ID:	89878
PubChem CID:	49965129
Reduced:	FN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	431.04807
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	3.27
IP(EA), eV:	-9.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations