Geometry & MOs

Info

ID:	178690
PubChem CID:	76368837
Reduced:	BrO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	403.169605
ΔH_f, kcal/mol:	26.41
Dipole, Da:	2.83
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations