Geometry & MOs

Info

ID:	415466
PubChem CID:	135088461
Reduced:	SN2O6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-192.57
Dipole, Da:	7.97
IP(EA), eV:	-9.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations