Geometry & MOs

Info

ID:	415152
PubChem CID:	135088143
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	6.12
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOCC1=C(C=CC(=C1)CN(CCO)CC2=NC=CN2)OC

DOS

IR

Vibrations