Geometry & MOs

Info

ID:	398753
PubChem CID:	135035225
Reduced:	ClO2N4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	459.169525
ΔH_f, kcal/mol:	88.31
Dipole, Da:	3.45
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[4H-furo[2,3-c]pyrazole-5,4'-pyrazole]-4-yl)benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations