Geometry & MOs

Info

ID:	398745
PubChem CID:	135035182
Reduced:	ClN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	464.184841
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	7.97
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C(=C(C(=C1N)C#N)C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4OC3=O)O

DOS

IR

Vibrations