Geometry & MOs

Info

ID:	89877
PubChem CID:	49965128
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	426.133948
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	3.51
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(4-fluorophenyl)-3-(3-nitrophenyl)-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(=CC=C4)OC

DOS

IR

Vibrations