Geometry & MOs

Info

ID:	419125
PubChem CID:	135107544
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-191.46
Dipole, Da:	6.26
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)N2C[C@@H]([C@H](C2)O)N3CCOCC3)OC

DOS

IR

Vibrations