Geometry & MOs

Info

ID:	162131
PubChem CID:	57393714
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	564.107959
ΔH_f, kcal/mol:	3.96
Dipole, Da:	5.79
IP(EA), eV:	-8.36(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1',3-bis(4-chlorophenyl)spiro[3a,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-4,5'-4H-pyrazole]-1,3'-dicarboxylate

Drug info:

PubChemData

Smile

CCC(CC)C1=C2C(=O)N(C(=NN2C(=C1)C)C3=C(N=C(C=C3)N(C)C)C)C

DOS

IR

Vibrations