Geometry & MOs

Info

ID:	398746
PubChem CID:	135035185
Reduced:	O3N4H24C28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	452.164854
ΔH_f, kcal/mol:	57.08
Dipole, Da:	1.36
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-3,5'-dimethyl-1,2'-diphenylspiro[4H-furo[2,3-c]pyrazole-5,4'-pyrazole]-3'-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C3(O2)C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations