Geometry & MOs

Info

ID:	419194
PubChem CID:	135107695
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-201.61
Dipole, Da:	6.66
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)CC3=CC=CC=C3OCCO)C(=O)O)C(=O)O

DOS

IR

Vibrations