Geometry & MOs

Info

ID:	141218
PubChem CID:	52840627
Reduced:	SN4O5C20H32 (1)
Stoich.:	AB4C5D20E32 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-235.66
Dipole, Da:	6.59
IP(EA), eV:	-9.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[[(3R)-1-benzylpiperidin-3-yl]-propylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCCCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations