Geometry & MOs

Info

ID:	167424
PubChem CID:	74827398
Reduced:	ClO2F3N4H14C21 (1)
Stoich.:	AB2C3D4E14F21 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	4.3
IP(EA), eV:	-9.6(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-3-methoxyphenyl)-3-(3-methoxyphenyl)-5-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C=C1C(=NN2C1=NC(=O)CC2C(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations