Geometry & MOs

Info

ID:

134277

PubChem CID:

51671720

Reduced:

ClON5C27H29 (1)

Stoich.:

ABC5D27E29 (1)

Weight, g/mol:

473.198238

ΔHf, kcal/mol:

87.43

Dipole, Da:

6.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.848003

Charge, e:

 0

Chem-info

IUPAC name:

(5S,5aS)-2'-[(2-chlorophenyl)methyl]-3,5'-dimethyl-1-phenylspiro[4,5a,6,7,8,9-hexahydropyrazolo[4,3-c]quinolizine-5,4'-pyrazole]-3'-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C[C@]3([C@H]4[NH+]2CCCC4)C(=NN(C3=O)CC5=CC=CC=C5Cl)C)C6=CC=CC=C6

DOS

IR

Vibrations