Geometry & MOs

Info

ID:	214482
PubChem CID:	85083110
Reduced:	SO2N7C29H33 (1)
Stoich.:	AB2C7D29E33 (1)
Weight, g/mol:	543.311044
ΔH_f, kcal/mol:	74.21
Dipole, Da:	9.41
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[5-benzyl-2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-2-cyclopentyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)SCC5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations